
 CHEMBL493781

 48 51  0  0  0  0  0  0  0  0999 V2000
    1.3737   -3.8880    2.8135 C   0  0  0  0  0
    0.1761   -3.1092    2.3592 C   0  0  0  0  0
    1.5023   -2.4055    2.5246 C   0  0  0  0  0
    2.2722   -1.9419    1.3234 C   0  0  0  0  0
    2.8301   -2.7854    0.6227 O   0  0  0  0  0
    2.2886   -0.5717    1.0068 N   0  0  0  0  0
    3.3129   -0.1365    0.0241 C   0  0  0  0  0
    2.8752   -0.3709   -1.4319 C   0  0  0  0  0
    2.1034    0.8027   -2.0232 C   0  0  0  0  0
    2.8796    2.0415   -1.8679 N   0  0  0  0  0
    3.1719    2.3853   -0.4701 C   0  0  0  0  0
    3.9500    1.2567    0.1953 C   0  0  0  0  0
    2.2110    3.1070   -2.5267 C   0  0  0  0  0
    1.4664    3.9825   -1.8183 N   0  0  0  0  0
    0.8166    4.9504   -2.4983 C   0  0  0  0  0
    0.8928    5.1175   -3.8687 C   0  0  0  0  0
    1.7170    4.2664   -4.5919 C   0  0  0  0  0
    2.3336    3.2149   -3.9142 C   0  0  0  0  0
    1.7403    4.3238   -5.9927 N   0  0  0  0  0
    1.7481    0.3752    1.8993 C   0  0  0  0  0
    0.6604    1.1396    1.4923 C   0  0  0  0  0
    0.1632    2.1164    2.3525 C   0  0  0  0  0
    0.7479    2.2816    3.6004 C   0  0  0  0  0
    1.8099    1.4605    3.9359 C   0  0  0  0  0
    2.3216    0.5172    3.1133 N   0  0  0  0  0
    1.4263   -4.2010    3.8497 H   0  0  0  0  0
    1.8202   -4.5922    2.1198 H   0  0  0  0  0
   -0.5990   -2.9060    3.0883 H   0  0  0  0  0
   -0.1896   -3.2970    1.3566 H   0  0  0  0  0
    1.6372   -1.8044    3.4170 H   0  0  0  0  0
    4.1506   -0.8296    0.1941 H   0  0  0  0  0
    2.2798   -1.2857   -1.5287 H   0  0  0  0  0
    3.7793   -0.5211   -2.0377 H   0  0  0  0  0
    1.9290    0.5843   -3.0848 H   0  0  0  0  0
    1.1205    0.8913   -1.5471 H   0  0  0  0  0
    3.7940    3.2896   -0.4343 H   0  0  0  0  0
    2.2614    2.6024    0.0920 H   0  0  0  0  0
    4.9412    1.2217   -0.2790 H   0  0  0  0  0
    4.1357    1.4903    1.2492 H   0  0  0  0  0
    0.2015    5.6069   -1.8903 H   0  0  0  0  0
    0.3222    5.9009   -4.3528 H   0  0  0  0  0
    2.9319    2.4879   -4.4522 H   0  0  0  0  0
    2.5707    3.9032   -6.4008 H   0  0  0  0  0
    1.5637    5.2510   -6.3679 H   0  0  0  0  0
    0.2111    1.0015    0.5165 H   0  0  0  0  0
   -0.6667    2.7458    2.0433 H   0  0  0  0  0
    0.3856    3.0335    4.2942 H   0  0  0  0  0
    2.2949    1.5420    4.9046 H   0  0  0  0  0
  1  3  1  0  0  0
  1  2  1  0  0  0
  1 26  1  0  0  0
  1 27  1  0  0  0
  2  3  1  0  0  0
  2 28  1  0  0  0
  2 29  1  0  0  0
  3  4  1  0  0  0
  3 30  1  0  0  0
  4  6  1  0  0  0
  4  5  2  0  0  0
  6 20  1  0  0  0
  6  7  1  0  0  0
  7 12  1  0  0  0
  7  8  1  0  0  0
  7 31  1  0  0  0
  8  9  1  0  0  0
  8 32  1  0  0  0
  8 33  1  0  0  0
  9 10  1  0  0  0
  9 34  1  0  0  0
  9 35  1  0  0  0
 10 11  1  0  0  0
 10 13  1  0  0  0
 11 12  1  0  0  0
 11 36  1  0  0  0
 11 37  1  0  0  0
 12 38  1  0  0  0
 12 39  1  0  0  0
 13 14  2  0  0  0
 13 18  1  0  0  0
 14 15  1  0  0  0
 15 16  2  0  0  0
 15 40  1  0  0  0
 16 17  1  0  0  0
 16 41  1  0  0  0
 17 18  2  0  0  0
 17 19  1  0  0  0
 18 42  1  0  0  0
 19 43  1  0  0  0
 19 44  1  0  0  0
 20 21  2  0  0  0
 20 25  1  0  0  0
 21 22  1  0  0  0
 21 45  1  0  0  0
 22 23  2  0  0  0
 22 46  1  0  0  0
 23 24  1  0  0  0
 23 47  1  0  0  0
 24 25  2  0  0  0
 24 48  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL493781

>  <PubChem CID>
44573444

>  <Formula>
C19H23N5O

>  <Molecular Weight>
337.427000

>  <IUPAC Name>
N-[1-(4-aminopyridin-2-yl)piperidin-4-yl]-N-pyridin-2-ylcyclopropanecarboxamide

>  <XlogP>
2.0

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C1CC1C(=O)N(C2CCN(CC2)C3=NC=CC(=C3)N)C4=CC=CC=N4

>  <Isomeric SMILES>
C1CC1C(=O)N(C2CCN(CC2)C3=NC=CC(=C3)N)C4=CC=CC=N4

>  <InChI Std. ID>
InChI=1S/C19H23N5O/c20-15-6-10-22-18(13-15)23-11-7-16(8-12-23)24(19(25)14-4-5-14)17-3-1-2-9-21-17/h1-3,6,9-10,13-14,16H,4-5,7-8,11-12H2,(H2,20,22)

>  <InChI Key>
ADEMYEDPMWTMAN-UHFFFAOYSA-N

