
 CHEMBL91400

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

>  <Chemical Name>
CHEMBL91400

>  <PubChem CID>
10764021

>  <Formula>
C24H35N5O

>  <Molecular Weight>
409.578000

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

>  <XlogP>
4.5

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CCCC1=CC=CC=C1N2CCN(CC2)CCCNC3=C(C=CC=N3)C(=O)N(C)C

>  <Isomeric SMILES>
CCCC1=CC=CC=C1N2CCN(CC2)CCCNC3=C(C=CC=N3)C(=O)N(C)C

>  <InChI Std. ID>
InChI=1S/C24H35N5O/c1-4-9-20-10-5-6-12-22(20)29-18-16-28(17-19-29)15-8-14-26-23-21(11-7-13-25-23)24(30)27(2)3/h5-7,10-13H,4,8-9,14-19H2,1-3H3,(H,25,26)

>  <InChI Key>
RVLXUVMFCDZMQX-UHFFFAOYSA-N

