2-cyano-N-[4-[2-(4-morpholinoanilino)pyrimidin-4-yl]phenyl]acetamide

CovInDB Inhibitor

CI006052

Name

2-cyano-N-[4-[2-(4-morpholinoanilino)pyrimidin-4-yl]phenyl]acetamide

Molecular Formula

C₂₃H₂₂N₆O₂

Molecular Weight

414.1804239 g/mol

Structure

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SDF 2D SDF 3D

IUPAC Name

2-cyano-N-[4-[2-(4-morpholinoanilino)pyrimidin-4-yl]phenyl]acetamide

InChI

InChI=1S/C23H22N6O2/c24-11-9-22(30)26-18-3-1-17(2-4-18)21-10-12-25-23(28-21)27-19-5-7-20(8-6-19)29-13-15-31-16-14-29/h1-8,10,12H,9,13-16H2,(H,26,30)(H,25,27,28)

InChI Key

RFPTXMLFYMYJSO-UHFFFAOYSA-N

Canonical SMILES

N#CCC(=O)Nc1ccc(-c2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)cc1

Cocrystal structures

No cocrystal structures found for this inhibitor.

Molecular Weight

414.1804239 g/mol

Computed by RDKit

logP

3.017

Computed by ALOGPS

logS

-5.642

Computed by ALOGPS

Heavy Atom Count

31

Computed by RDKit

Ring Count

4

Computed by RDKit

Hydrogen Bond Acceptor Count

7

Computed by RDKit

Hydrogen Bond Donor Count

2

Computed by RDKit

Rotatable Bond Count

6

Computed by RDKit

Topological Polar Surface Area

103.17 Ų

Computed by RDKit

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No similar natural compounds found for this inhibitor.