
 CHEMBL88109

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

>  <Chemical Name>
CHEMBL88109

>  <PubChem CID>
44323554

>  <Formula>
C25H30N6O2

>  <Molecular Weight>
446.555000

>  <IUPAC Name>
N,N-dimethyl-2-[4-[2-(2-pyrimidin-5-ylphenoxy)ethylamino]piperidin-1-yl]pyridine-3-carboxamide

>  <XlogP>
2.5

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
CN(C)C(=O)C1=C(N=CC=C1)N2CCC(CC2)NCCOC3=CC=CC=C3C4=CN=CN=C4

>  <Isomeric SMILES>
CN(C)C(=O)C1=C(N=CC=C1)N2CCC(CC2)NCCOC3=CC=CC=C3C4=CN=CN=C4

>  <InChI Std. ID>
InChI=1S/C25H30N6O2/c1-30(2)25(32)22-7-5-11-29-24(22)31-13-9-20(10-14-31)28-12-15-33-23-8-4-3-6-21(23)19-16-26-18-27-17-19/h3-8,11,16-18,20,28H,9-10,12-15H2,1-2H3

>  <InChI Key>
WXGIPCLOTPTJPY-UHFFFAOYSA-N

