N-[3-[[3-chloro-6-(4-morpholinoanilino)-2-pyridyl]oxy]phenyl]prop-2-enamide

CovInDB Inhibitor

CI005443

Name

N-[3-[[3-chloro-6-(4-morpholinoanilino)-2-pyridyl]oxy]phenyl]prop-2-enamide

Molecular Formula

C₂₄H₂₃ClN₄O₃

Molecular Weight

450.1458683 g/mol

Structure

  Warhead   Similar Compounds

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SDF 2D SDF 3D

IUPAC Name

N-[3-[[3-chloro-6-(4-morpholinoanilino)-2-pyridyl]oxy]phenyl]prop-2-enamide

InChI

InChI=1S/C24H23ClN4O3/c1-2-23(30)27-18-4-3-5-20(16-18)32-24-21(25)10-11-22(28-24)26-17-6-8-19(9-7-17)29-12-14-31-15-13-29/h2-11,16H,1,12-15H2,(H,26,28)(H,27,30)

InChI Key

KGPIUEMTCZJTDW-UHFFFAOYSA-N

Canonical SMILES

C=CC(=O)Nc1cccc(Oc2nc(Nc3ccc(N4CCOCC4)cc3)ccc2Cl)c1

Cocrystal structures

No cocrystal structures found for this inhibitor.

Molecular Weight

450.1458683 g/mol

Computed by RDKit

logP

4.907

Computed by ALOGPS

logS

-7.138

Computed by ALOGPS

Heavy Atom Count

32

Computed by RDKit

Ring Count

4

Computed by RDKit

Hydrogen Bond Acceptor Count

6

Computed by RDKit

Hydrogen Bond Donor Count

2

Computed by RDKit

Rotatable Bond Count

7

Computed by RDKit

Topological Polar Surface Area

75.72 Ų

Computed by RDKit

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No similar natural compounds found for this inhibitor.