
 CHEMBL88435

 59 61  0  0  0  0  0  0  0  0999 V2000
    3.2343    0.3742   -2.1331 C   0  0  0  0  0
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    2.7552    2.7293   -0.9375 H   0  0  0  0  0
    1.5861    3.1879    1.1812 H   0  0  0  0  0
    0.6106    1.3159    2.4839 H   0  0  0  0  0
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    2.1970   -5.0509    0.5946 H   0  0  0  0  0
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    1.1175   -2.8948    1.0208 H   0  0  0  0  0
    2.8779   -2.7112    1.1168 H   0  0  0  0  0
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  1  2  1  0  0  0
  1 29  1  0  0  0
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  2  3  2  0  0  0
  2  7  1  0  0  0
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  3 32  1  0  0  0
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  6 35  1  0  0  0
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  9 37  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL88435

>  <PubChem CID>
10833725

>  <Formula>
C22H31N5O

>  <Molecular Weight>
381.524000

>  <IUPAC Name>
N,N-dimethyl-2-[3-[4-(2-methylphenyl)piperazin-1-yl]propylamino]pyridine-3-carboxamide

>  <XlogP>
3.5

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC1=CC=CC=C1N2CCN(CC2)CCCNC3=C(C=CC=N3)C(=O)N(C)C

>  <Isomeric SMILES>
CC1=CC=CC=C1N2CCN(CC2)CCCNC3=C(C=CC=N3)C(=O)N(C)C

>  <InChI Std. ID>
InChI=1S/C22H31N5O/c1-18-8-4-5-10-20(18)27-16-14-26(15-17-27)13-7-12-24-21-19(9-6-11-23-21)22(28)25(2)3/h4-6,8-11H,7,12-17H2,1-3H3,(H,23,24)

>  <InChI Key>
PLJCELRWRGZCMC-UHFFFAOYSA-N

