
 CHEMBL3986916

 65 67  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL3986916

>  <PubChem CID>
129626080

>  <Formula>
C25H34N4O2

>  <Molecular Weight>
422.573000

>  <IUPAC Name>
N-[3-[[4-(tert-butylcarbamoyl)piperidin-1-yl]methyl]-2-methylphenyl]-5-methylpyridine-3-carboxamide

>  <XlogP>
3.0

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC1=CN=CC(=C1)C(=O)NC2=CC=CC(=C2C)CN3CCC(CC3)C(=O)NC(C)(C)C

>  <Isomeric SMILES>
CC1=CN=CC(=C1)C(=O)NC2=CC=CC(=C2C)CN3CCC(CC3)C(=O)NC(C)(C)C

>  <InChI Std. ID>
InChI=1S/C25H34N4O2/c1-17-13-21(15-26-14-17)23(30)27-22-8-6-7-20(18(22)2)16-29-11-9-19(10-12-29)24(31)28-25(3,4)5/h6-8,13-15,19H,9-12,16H2,1-5H3,(H,27,30)(H,28,31)

>  <InChI Key>
CVCMYTRXKNWVFQ-UHFFFAOYSA-N

