
 CHEMBL92109

 62 64  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL92109

>  <PubChem CID>
10572794

>  <Formula>
C23H33N5O

>  <Molecular Weight>
395.551000

>  <IUPAC Name>
2-[3-[4-(2,6-dimethylphenyl)piperazin-1-yl]propylamino]-N,N-dimethylpyridine-3-carboxamide

>  <XlogP>
3.9

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

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

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

>  <InChI Std. ID>
InChI=1S/C23H33N5O/c1-18-8-5-9-19(2)21(18)28-16-14-27(15-17-28)13-7-12-25-22-20(10-6-11-24-22)23(29)26(3)4/h5-6,8-11H,7,12-17H2,1-4H3,(H,24,25)

>  <InChI Key>
JBYMTXDPDHHAHR-UHFFFAOYSA-N

