
 SCHEMBL2765776

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M  END

>  <Chemical Name>
SCHEMBL2765776

>  <PubChem CID>
23728840

>  <Formula>
C26H27N5O

>  <Molecular Weight>
425.536000

>  <IUPAC Name>
5-(3-cyanophenyl)-N-methyl-N-[4-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]pyridine-2-carboxamide

>  <XlogP>
3.2

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC1CN(CCN1)CC2=CC=C(C=C2)N(C)C(=O)C3=NC=C(C=C3)C4=CC=CC(=C4)C#N

>  <Isomeric SMILES>
C[C@H]1CN(CCN1)CC2=CC=C(C=C2)N(C)C(=O)C3=NC=C(C=C3)C4=CC=CC(=C4)C#N

>  <InChI Std. ID>
InChI=1S/C26H27N5O/c1-19-17-31(13-12-28-19)18-20-6-9-24(10-7-20)30(2)26(32)25-11-8-23(16-29-25)22-5-3-4-21(14-22)15-27/h3-11,14,16,19,28H,12-13,17-18H2,1-2H3/t19-/m0/s1

>  <InChI Key>
CTMMIKSYUJHCDV-IBGZPJMESA-N

