
 CHEMBL327872

 61 63  0  0  0  0  0  0  0  0999 V2000
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    2.8939    5.7100    0.0684 H   0  0  0  0  0
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    0.3043    4.0524    0.2675 H   0  0  0  0  0
    1.0568    4.5621   -1.2384 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL327872

>  <PubChem CID>
10574245

>  <Formula>
C23H30N6O2

>  <Molecular Weight>
422.533000

>  <IUPAC Name>
5-cyano-2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]-N,N-dimethylpyridine-3-carboxamide

>  <XlogP>
2.9

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
CN(C)C(=O)C1=C(N=CC(=C1)C#N)NCCCN2CCN(CC2)C3=CC=CC=C3OC

>  <Isomeric SMILES>
CN(C)C(=O)C1=C(N=CC(=C1)C#N)NCCCN2CCN(CC2)C3=CC=CC=C3OC

>  <InChI Std. ID>
InChI=1S/C23H30N6O2/c1-27(2)23(30)19-15-18(16-24)17-26-22(19)25-9-6-10-28-11-13-29(14-12-28)20-7-4-5-8-21(20)31-3/h4-5,7-8,15,17H,6,9-14H2,1-3H3,(H,25,26)

>  <InChI Key>
KVWRYFZHOACXMA-UHFFFAOYSA-N

