
 SCHEMBL2713676

 53 56  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
SCHEMBL2713676

>  <PubChem CID>
67508735

>  <Formula>
C21H25ClN4O2

>  <Molecular Weight>
400.907000

>  <IUPAC Name>
1-[5-chloro-4-(3-methylpyridin-2-yl)pyridin-2-yl]-N-(oxolan-3-yl)piperidine-4-carboxamide

>  <XlogP>
2.7

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC1=C(N=CC=C1)C2=CC(=NC=C2Cl)N3CCC(CC3)C(=O)NC4CCOC4

>  <Isomeric SMILES>
CC1=C(N=CC=C1)C2=CC(=NC=C2Cl)N3CCC(CC3)C(=O)NC4CCOC4

>  <InChI Std. ID>
InChI=1S/C21H25ClN4O2/c1-14-3-2-7-23-20(14)17-11-19(24-12-18(17)22)26-8-4-15(5-9-26)21(27)25-16-6-10-28-13-16/h2-3,7,11-12,15-16H,4-6,8-10,13H2,1H3,(H,25,27)

>  <InChI Key>
BZNIPQGIZHOORN-UHFFFAOYSA-N

