
 CHEMBL3764284

 48 50  0  0  0  0  0  0  0  0999 V2000
    0.2671    1.6053   -0.2586 C   0  0  0  0  0
   -1.2008    1.1036   -0.1898 C   0  0  0  0  0
   -1.3998   -0.0986   -1.0324 N   0  0  0  0  0
   -0.3768   -1.1437   -0.8567 C   0  0  0  0  0
    1.0436   -0.5405   -0.9571 C   0  0  0  0  0
    1.3082    0.5718   -0.0104 N   0  0  0  0  0
    1.2878    0.1669    1.4093 C   0  0  0  0  0
    2.3234   -0.8889    1.8112 C   0  0  0  0  0
    3.7580   -0.4309    1.5779 C   0  0  0  0  0
    4.7024   -1.4836    1.9196 N   0  0  0  0  0
    5.1556   -1.6687    3.2100 C   0  0  0  0  0
    4.8114   -0.9426    4.1394 O   0  0  0  0  0
    6.0962   -2.8007    3.4650 C   0  0  0  0  0
    6.6098   -2.9377    4.7571 C   0  0  0  0  0
    7.4828   -3.9783    5.0182 C   0  0  0  0  0
    7.8732   -4.8752    4.0899 N   0  0  0  0  0
    7.3679   -4.7261    2.8487 C   0  0  0  0  0
    6.4867   -3.7186    2.4866 C   0  0  0  0  0
   -2.7533   -0.4582   -1.1673 C   0  0  0  0  0
   -3.5218    0.3588   -2.0272 C   0  0  0  0  0
   -4.8827    0.1349   -2.2602 C   0  0  0  0  0
   -5.5233   -0.9275   -1.6408 C   0  0  0  0  0
   -4.8011   -1.7535   -0.7850 C   0  0  0  0  0
   -3.4349   -1.5254   -0.5407 C   0  0  0  0  0
   -2.7299   -2.5883    0.6305 Cl  0  0  0  0  0
    0.4443    2.0222   -1.2596 H   0  0  0  0  0
    0.4003    2.4452    0.4345 H   0  0  0  0  0
   -1.8441    1.9266   -0.5256 H   0  0  0  0  0
   -1.4756    0.8799    0.8482 H   0  0  0  0  0
   -0.4480   -1.6243    0.1194 H   0  0  0  0  0
   -0.4891   -1.9100   -1.6328 H   0  0  0  0  0
    1.7918   -1.3315   -0.8387 H   0  0  0  0  0
    1.1935   -0.1598   -1.9768 H   0  0  0  0  0
    0.3016   -0.2051    1.7083 H   0  0  0  0  0
    1.4739    1.0586    2.0226 H   0  0  0  0  0
    2.1356   -1.8338    1.2880 H   0  0  0  0  0
    2.1852   -1.1143    2.8766 H   0  0  0  0  0
    3.9794    0.4576    2.1792 H   0  0  0  0  0
    3.9308   -0.1867    0.5264 H   0  0  0  0  0
    4.9561   -2.1154    1.1778 H   0  0  0  0  0
    6.3336   -2.2499    5.5505 H   0  0  0  0  0
    7.9048   -4.1214    6.0089 H   0  0  0  0  0
    7.7007   -5.4653    2.1243 H   0  0  0  0  0
    6.1352   -3.6873    1.4656 H   0  0  0  0  0
   -3.0394    1.1874   -2.5432 H   0  0  0  0  0
   -5.4336    0.7907   -2.9294 H   0  0  0  0  0
   -6.5800   -1.1109   -1.8142 H   0  0  0  0  0
   -5.3126   -2.5767   -0.2910 H   0  0  0  0  0
  1  6  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 19  1  0  0  0
  4  5  1  0  0  0
  4 30  1  0  0  0
  4 31  1  0  0  0
  5  6  1  0  0  0
  5 32  1  0  0  0
  5 33  1  0  0  0
  6  7  1  0  0  0
  7  8  1  0  0  0
  7 34  1  0  0  0
  7 35  1  0  0  0
  8  9  1  0  0  0
  8 36  1  0  0  0
  8 37  1  0  0  0
  9 10  1  0  0  0
  9 38  1  0  0  0
  9 39  1  0  0  0
 10 11  1  0  0  0
 10 40  1  0  0  0
 11 13  1  0  0  0
 11 12  2  0  0  0
 13 14  2  0  0  0
 13 18  1  0  0  0
 14 15  1  0  0  0
 14 41  1  0  0  0
 15 16  2  0  0  0
 15 42  1  0  0  0
 16 17  1  0  0  0
 17 18  2  0  0  0
 17 43  1  0  0  0
 18 44  1  0  0  0
 19 20  2  0  0  0
 19 24  1  0  0  0
 20 21  1  0  0  0
 20 45  1  0  0  0
 21 22  2  0  0  0
 21 46  1  0  0  0
 22 23  1  0  0  0
 22 47  1  0  0  0
 23 24  2  0  0  0
 23 48  1  0  0  0
 24 25  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3764284

>  <PubChem CID>
48199175

>  <Formula>
C19H23ClN4O

>  <Molecular Weight>
358.870000

>  <IUPAC Name>
N-[3-[4-(2-chlorophenyl)piperazin-1-yl]propyl]pyridine-4-carboxamide

>  <XlogP>
2.7

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1CN(CCN1CCCNC(=O)C2=CC=NC=C2)C3=CC=CC=C3Cl

>  <Isomeric SMILES>
C1CN(CCN1CCCNC(=O)C2=CC=NC=C2)C3=CC=CC=C3Cl

>  <InChI Std. ID>
InChI=1S/C19H23ClN4O/c20-17-4-1-2-5-18(17)24-14-12-23(13-15-24)11-3-8-22-19(25)16-6-9-21-10-7-16/h1-2,4-7,9-10H,3,8,11-15H2,(H,22,25)

>  <InChI Key>
CIDKDKUJVXSHCU-UHFFFAOYSA-N

