
 CHEMBL2151798

 47 48  0  0  0  0  0  0  0  0999 V2000
    1.7502    2.1142   -2.2771 C   0  0  0  0  0
    1.6977    3.5010   -1.6562 C   0  0  0  0  0
    2.4047    3.5915   -0.3031 C   0  0  0  0  0
    3.9059    3.3155   -0.3808 C   0  0  0  0  0
    4.5779    3.5568    0.9706 C   0  0  0  0  0
    5.9753    3.2606    0.9145 O   0  0  0  0  0
    6.7665    4.3425    0.5906 C   0  0  0  0  0
    6.2274    5.4152   -0.0245 N   0  0  0  0  0
    7.0741    6.4291   -0.3368 C   0  0  0  0  0
    8.4375    6.4151   -0.0674 C   0  0  0  0  0
    8.9593    5.2922    0.5809 C   0  0  0  0  0
    8.1124    4.2320    0.9012 C   0  0  0  0  0
    9.2529    7.5944   -0.4530 C   0  0  0  0  0
    8.7088    8.6630   -0.6992 O   0  0  0  0  0
   10.6163    7.3949   -0.5275 N   0  0  0  0  0
   11.5336    8.4459   -0.9557 C   0  0  0  0  0
   12.9047    8.2527   -0.2951 C   0  0  0  0  0
   13.6664    7.0494   -0.8520 C   0  0  0  0  0
   13.7761    7.1039   -2.3724 C   0  0  0  0  0
   12.4139    7.2748   -3.0387 C   0  0  0  0  0
   11.6579    8.4828   -2.4847 C   0  0  0  0  0
    1.1359    2.0851   -3.1827 H   0  0  0  0  0
    1.3694    1.3578   -1.5838 H   0  0  0  0  0
    2.7709    1.8420   -2.5615 H   0  0  0  0  0
    0.6472    3.7830   -1.5174 H   0  0  0  0  0
    2.1313    4.2286   -2.3521 H   0  0  0  0  0
    1.9380    2.8939    0.4029 H   0  0  0  0  0
    2.2449    4.6002    0.0979 H   0  0  0  0  0
    4.3621    3.9468   -1.1514 H   0  0  0  0  0
    4.0961    2.2809   -0.6893 H   0  0  0  0  0
    4.1503    2.8633    1.7047 H   0  0  0  0  0
    4.3835    4.5639    1.3619 H   0  0  0  0  0
    6.6057    7.2778   -0.8302 H   0  0  0  0  0
   10.0035    5.2287    0.8672 H   0  0  0  0  0
    8.4883    3.3453    1.3998 H   0  0  0  0  0
   10.9635    6.4473   -0.5535 H   0  0  0  0  0
   11.1171    9.4032   -0.6187 H   0  0  0  0  0
   12.7893    8.1378    0.7895 H   0  0  0  0  0
   13.5075    9.1555   -0.4566 H   0  0  0  0  0
   14.6698    7.0168   -0.4123 H   0  0  0  0  0
   13.1661    6.1200   -0.5546 H   0  0  0  0  0
   14.4275    7.9388   -2.6584 H   0  0  0  0  0
   14.2530    6.1880   -2.7395 H   0  0  0  0  0
   12.5485    7.3924   -4.1200 H   0  0  0  0  0
   11.8176    6.3661   -2.8922 H   0  0  0  0  0
   12.1936    9.3959   -2.7749 H   0  0  0  0  0
   10.6670    8.5357   -2.9510 H   0  0  0  0  0
  1  2  1  0  0  0
  1 22  1  0  0  0
  1 23  1  0  0  0
  1 24  1  0  0  0
  2  3  1  0  0  0
  2 25  1  0  0  0
  2 26  1  0  0  0
  3  4  1  0  0  0
  3 27  1  0  0  0
  3 28  1  0  0  0
  4  5  1  0  0  0
  4 29  1  0  0  0
  4 30  1  0  0  0
  5  6  1  0  0  0
  5 31  1  0  0  0
  5 32  1  0  0  0
  6  7  1  0  0  0
  7  8  2  0  0  0
  7 12  1  0  0  0
  8  9  1  0  0  0
  9 10  2  0  0  0
  9 33  1  0  0  0
 10 11  1  0  0  0
 10 13  1  0  0  0
 11 12  2  0  0  0
 11 34  1  0  0  0
 12 35  1  0  0  0
 13 15  1  0  0  0
 13 14  2  0  0  0
 15 16  1  0  0  0
 15 36  1  0  0  0
 16 21  1  0  0  0
 16 17  1  0  0  0
 16 37  1  0  0  0
 17 18  1  0  0  0
 17 38  1  0  0  0
 17 39  1  0  0  0
 18 19  1  0  0  0
 18 40  1  0  0  0
 18 41  1  0  0  0
 19 20  1  0  0  0
 19 42  1  0  0  0
 19 43  1  0  0  0
 20 21  1  0  0  0
 20 44  1  0  0  0
 20 45  1  0  0  0
 21 46  1  0  0  0
 21 47  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL2151798

>  <PubChem CID>
71454767

>  <Formula>
C17H26N2O2

>  <Molecular Weight>
290.407000

>  <IUPAC Name>
N-cyclohexyl-6-pentoxypyridine-3-carboxamide

>  <XlogP>
4.0

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CCCCCOC1=NC=C(C=C1)C(=O)NC2CCCCC2

>  <Isomeric SMILES>
CCCCCOC1=NC=C(C=C1)C(=O)NC2CCCCC2

>  <InChI Std. ID>
InChI=1S/C17H26N2O2/c1-2-3-7-12-21-16-11-10-14(13-18-16)17(20)19-15-8-5-4-6-9-15/h10-11,13,15H,2-9,12H2,1H3,(H,19,20)

>  <InChI Key>
ADGOLTAGOXVCEI-UHFFFAOYSA-N

