
 CHEMBL3974763

 63 66  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL3974763

>  <PubChem CID>
129626238

>  <Formula>
C25H32N4O2

>  <Molecular Weight>
420.557000

>  <IUPAC Name>
N-[3-[[3-(cyclohexylcarbamoyl)pyrrolidin-1-yl]methyl]phenyl]-5-methylpyridine-3-carboxamide

>  <XlogP>
3.1

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC1=CN=CC(=C1)C(=O)NC2=CC=CC(=C2)CN3CCC(C3)C(=O)NC4CCCCC4

>  <Isomeric SMILES>
CC1=CN=CC(=C1)C(=O)NC2=CC=CC(=C2)CN3CCC(C3)C(=O)NC4CCCCC4

>  <InChI Std. ID>
InChI=1S/C25H32N4O2/c1-18-12-21(15-26-14-18)25(31)28-23-9-5-6-19(13-23)16-29-11-10-20(17-29)24(30)27-22-7-3-2-4-8-22/h5-6,9,12-15,20,22H,2-4,7-8,10-11,16-17H2,1H3,(H,27,30)(H,28,31)

>  <InChI Key>
AMVMXOVWZWTOSU-UHFFFAOYSA-N

