
 CHEMBL314114

 59 61  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL314114

>  <PubChem CID>
10574889

>  <Formula>
C22H28F3N5O

>  <Molecular Weight>
435.495000

>  <IUPAC Name>
N,N-dimethyl-2-[3-[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]propylamino]pyridine-3-carboxamide

>  <XlogP>
4.100

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
8

>  <Canonical SMILES>
CN(C)C(=O)C1=C(N=CC=C1)NCCCN2CCN(CC2)C3=CC=CC=C3C(F)(F)F

>  <Isomeric SMILES>
CN(C)C(=O)C1=C(N=CC=C1)NCCCN2CCN(CC2)C3=CC=CC=C3C(F)(F)F

>  <InChI Std. ID>
InChI=1S/C22H28F3N5O/c1-28(2)21(31)17-7-5-10-26-20(17)27-11-6-12-29-13-15-30(16-14-29)19-9-4-3-8-18(19)22(23,24)25/h3-5,7-10H,6,11-16H2,1-2H3,(H,26,27)

>  <InChI Key>
FAEPBXVYMFXGCS-UHFFFAOYSA-N

