
 CHEMBL3937850

 66 69  0  0  0  0  0  0  0  0999 V2000
    9.0280   -5.1851  -12.0374 C   0  0  0  0  0
    8.2077   -6.0071  -11.0961 C   0  0  0  0  0
    7.3585   -7.0050  -11.5592 C   0  0  0  0  0
    6.5567   -7.7487  -10.7615 N   0  0  0  0  0
    6.5964   -7.4815   -9.4317 C   0  0  0  0  0
    7.4125   -6.5193   -8.8593 C   0  0  0  0  0
    8.2173   -5.7619   -9.7208 C   0  0  0  0  0
    7.4509   -6.2158   -7.4046 C   0  0  0  0  0
    7.8339   -5.0959   -7.0841 O   0  0  0  0  0
    7.0573   -7.2241   -6.5327 N   0  0  0  0  0
    7.0753   -7.1552   -5.1171 C   0  0  0  0  0
    7.6843   -6.1189   -4.4074 C   0  0  0  0  0
    7.6660   -6.1017   -3.0125 C   0  0  0  0  0
    7.0172   -7.1140   -2.3138 C   0  0  0  0  0
    6.3825   -8.1615   -2.9969 C   0  0  0  0  0
    6.4535   -8.1921   -4.4027 C   0  0  0  0  0
    5.7026   -9.2497   -2.1879 C   0  0  0  0  0
    4.4241   -9.7779   -2.7220 N   0  0  0  0  0
    3.4066   -8.7204   -2.8536 C   0  0  0  0  0
    2.0929   -9.2902   -3.4054 C   0  0  0  0  0
    1.5286  -10.4061   -2.5195 C   0  0  0  0  0
    2.6179  -11.4411   -2.2271 C   0  0  0  0  0
    3.9422  -10.8152   -1.7841 C   0  0  0  0  0
    0.9164   -9.8312   -1.2454 C   0  0  0  0  0
    1.4502   -9.9302   -0.1402 O   0  0  0  0  0
   -0.2763   -9.1483   -1.4378 N   0  0  0  0  0
   -0.9610   -8.5014   -0.3234 C   0  0  0  0  0
   -1.7243   -7.2521   -0.7891 C   0  0  0  0  0
   -3.0979   -7.5461   -1.3842 C   0  0  0  0  0
   -3.9335   -8.4094   -0.4483 C   0  0  0  0  0
   -3.2181   -9.7242   -0.1592 C   0  0  0  0  0
   -1.8432   -9.4854    0.4626 C   0  0  0  0  0
    9.8659   -4.7075  -11.5180 H   0  0  0  0  0
    8.4102   -4.4026  -12.4896 H   0  0  0  0  0
    9.4507   -5.8100  -12.8309 H   0  0  0  0  0
    7.2898   -7.2381  -12.6193 H   0  0  0  0  0
    5.9011   -8.0776   -8.8505 H   0  0  0  0  0
    8.8508   -4.9752   -9.3140 H   0  0  0  0  0
    6.7171   -8.0954   -6.9106 H   0  0  0  0  0
    8.2068   -5.3096   -4.9066 H   0  0  0  0  0
    8.1584   -5.2951   -2.4774 H   0  0  0  0  0
    7.0102   -7.0789   -1.2259 H   0  0  0  0  0
    5.9811   -9.0198   -4.9265 H   0  0  0  0  0
    5.5396   -8.8771   -1.1671 H   0  0  0  0  0
    6.4259  -10.0725   -2.1134 H   0  0  0  0  0
    3.7422   -7.9558   -3.5622 H   0  0  0  0  0
    3.2295   -8.2169   -1.8955 H   0  0  0  0  0
    1.3692   -8.4759   -3.5229 H   0  0  0  0  0
    2.2745   -9.6943   -4.4103 H   0  0  0  0  0
    0.7146  -10.9129   -3.0541 H   0  0  0  0  0
    2.2789  -12.1468   -1.4585 H   0  0  0  0  0
    2.7978  -12.0316   -3.1360 H   0  0  0  0  0
    3.8389  -10.4032   -0.7724 H   0  0  0  0  0
    4.6862  -11.6194   -1.7183 H   0  0  0  0  0
   -0.7657   -9.2638   -2.3162 H   0  0  0  0  0
   -0.1727   -8.1576    0.3585 H   0  0  0  0  0
   -1.1264   -6.6886   -1.5159 H   0  0  0  0  0
   -1.8652   -6.5926    0.0774 H   0  0  0  0  0
   -3.6220   -6.6032   -1.5771 H   0  0  0  0  0
   -2.9869   -8.0526   -2.3516 H   0  0  0  0  0
   -4.1143   -7.8712    0.4908 H   0  0  0  0  0
   -4.9125   -8.6077   -0.8964 H   0  0  0  0  0
   -3.8271  -10.3274    0.5220 H   0  0  0  0  0
   -3.1134  -10.2971   -1.0878 H   0  0  0  0  0
   -1.9953   -9.0801    1.4713 H   0  0  0  0  0
   -1.3344  -10.4492    0.5884 H   0  0  0  0  0
  1  2  1  0  0  0
  1 33  1  0  0  0
  1 34  1  0  0  0
  1 35  1  0  0  0
  2  7  1  0  0  0
  2  3  2  0  0  0
  3  4  1  0  0  0
  3 36  1  0  0  0
  4  5  2  0  0  0
  5  6  1  0  0  0
  5 37  1  0  0  0
  6  7  2  0  0  0
  6  8  1  0  0  0
  7 38  1  0  0  0
  8 10  1  0  0  0
  8  9  2  0  0  0
 10 11  1  0  0  0
 10 39  1  0  0  0
 11 12  2  0  0  0
 11 16  1  0  0  0
 12 13  1  0  0  0
 12 40  1  0  0  0
 13 14  2  0  0  0
 13 41  1  0  0  0
 14 15  1  0  0  0
 14 42  1  0  0  0
 15 16  2  0  0  0
 15 17  1  0  0  0
 16 43  1  0  0  0
 17 18  1  0  0  0
 17 44  1  0  0  0
 17 45  1  0  0  0
 18 23  1  0  0  0
 18 19  1  0  0  0
 19 20  1  0  0  0
 19 46  1  0  0  0
 19 47  1  0  0  0
 20 21  1  0  0  0
 20 48  1  0  0  0
 20 49  1  0  0  0
 21 22  1  0  0  0
 21 24  1  0  0  0
 21 50  1  0  0  0
 22 23  1  0  0  0
 22 51  1  0  0  0
 22 52  1  0  0  0
 23 53  1  0  0  0
 23 54  1  0  0  0
 24 26  1  0  0  0
 24 25  2  0  0  0
 26 27  1  0  0  0
 26 55  1  0  0  0
 27 32  1  0  0  0
 27 28  1  0  0  0
 27 56  1  0  0  0
 28 29  1  0  0  0
 28 57  1  0  0  0
 28 58  1  0  0  0
 29 30  1  0  0  0
 29 59  1  0  0  0
 29 60  1  0  0  0
 30 31  1  0  0  0
 30 61  1  0  0  0
 30 62  1  0  0  0
 31 32  1  0  0  0
 31 63  1  0  0  0
 31 64  1  0  0  0
 32 65  1  0  0  0
 32 66  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3937850

>  <PubChem CID>
72705417

>  <Formula>
C26H34N4O2

>  <Molecular Weight>
434.584000

>  <IUPAC Name>
N-[3-[[4-(cyclohexylcarbamoyl)piperidin-1-yl]methyl]phenyl]-5-methylpyridine-3-carboxamide

>  <XlogP>
3.5

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC1=CN=CC(=C1)C(=O)NC2=CC=CC(=C2)CN3CCC(CC3)C(=O)NC4CCCCC4

>  <Isomeric SMILES>
CC1=CN=CC(=C1)C(=O)NC2=CC=CC(=C2)CN3CCC(CC3)C(=O)NC4CCCCC4

>  <InChI Std. ID>
InChI=1S/C26H34N4O2/c1-19-14-22(17-27-16-19)26(32)29-24-9-5-6-20(15-24)18-30-12-10-21(11-13-30)25(31)28-23-7-3-2-4-8-23/h5-6,9,14-17,21,23H,2-4,7-8,10-13,18H2,1H3,(H,28,31)(H,29,32)

>  <InChI Key>
BOKVYEOYYVYULI-UHFFFAOYSA-N

