
 CHEMBL3696789

 52 54  0  0  0  0  0  0  0  0999 V2000
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    3.2786   -5.3123   -9.2002 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL3696789

>  <PubChem CID>
89736231

>  <Formula>
C20H25ClN4O2

>  <Molecular Weight>
388.896000

>  <IUPAC Name>
N-[1-(5-chloro-6-pyridin-2-ylpyridin-2-yl)piperidin-4-yl]-3-hydroxy-3-methylbutanamide

>  <XlogP>
2.9

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC(C)(CC(=O)NC1CCN(CC1)C2=NC(=C(C=C2)Cl)C3=CC=CC=N3)O

>  <Isomeric SMILES>
CC(C)(CC(=O)NC1CCN(CC1)C2=NC(=C(C=C2)Cl)C3=CC=CC=N3)O

>  <InChI Std. ID>
InChI=1S/C20H25ClN4O2/c1-20(2,27)13-18(26)23-14-8-11-25(12-9-14)17-7-6-15(21)19(24-17)16-5-3-4-10-22-16/h3-7,10,14,27H,8-9,11-13H2,1-2H3,(H,23,26)

>  <InChI Key>
BDNRABUDGIZFHB-UHFFFAOYSA-N

