
 CHEMBL3891652

 56 59  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL3891652

>  <PubChem CID>
134137372

>  <Formula>
C22H27ClN4O2

>  <Molecular Weight>
414.934000

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

>  <XlogP>
3.1

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC1=C(N=CC=C1)C2=CC(=NC=C2Cl)N3CCC(CC3)C(=O)NCC4CCCO4

>  <Isomeric SMILES>
CC1=C(N=CC=C1)C2=CC(=NC=C2Cl)N3CCC(CC3)C(=O)NC[C@@H]4CCCO4

>  <InChI Std. ID>
InChI=1S/C22H27ClN4O2/c1-15-4-2-8-24-21(15)18-12-20(25-14-19(18)23)27-9-6-16(7-10-27)22(28)26-13-17-5-3-11-29-17/h2,4,8,12,14,16-17H,3,5-7,9-11,13H2,1H3,(H,26,28)/t17-/m0/s1

>  <InChI Key>
BZNDFZAVUBXGOV-KRWDZBQOSA-N

