
 CHEMBL89222

 58 60  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL89222

>  <PubChem CID>
10786159

>  <Formula>
C21H30N6O

>  <Molecular Weight>
382.512000

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

>  <XlogP>
2.5

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CC1=C(C=CN=C1)N2CCN(CC2)CCCNC3=C(C=CC=N3)C(=O)N(C)C

>  <Isomeric SMILES>
CC1=C(C=CN=C1)N2CCN(CC2)CCCNC3=C(C=CC=N3)C(=O)N(C)C

>  <InChI Std. ID>
InChI=1S/C21H30N6O/c1-17-16-22-10-7-19(17)27-14-12-26(13-15-27)11-5-9-24-20-18(6-4-8-23-20)21(28)25(2)3/h4,6-8,10,16H,5,9,11-15H2,1-3H3,(H,23,24)

>  <InChI Key>
JGKIHBNSDMUTKS-UHFFFAOYSA-N

