N-[3-[[6-[2-methoxy-4-(4-methylpiperazin-1-yl)anilino]-2-pyridyl]oxy]phenyl]prop-2-enamide

CovInDB Inhibitor

CI005448

Name

N-[3-[[6-[2-methoxy-4-(4-methylpiperazin-1-yl)anilino]-2-pyridyl]oxy]phenyl]prop-2-enamide

Molecular Formula

C₂₆H₂₉N₅O₃

Molecular Weight

459.2270398 g/mol

Structure

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SDF 2D SDF 3D

IUPAC Name

N-[3-[[6-[2-methoxy-4-(4-methylpiperazin-1-yl)anilino]-2-pyridyl]oxy]phenyl]prop-2-enamide

InChI

InChI=1S/C26H29N5O3/c1-4-25(32)27-19-7-5-8-21(17-19)34-26-10-6-9-24(29-26)28-22-12-11-20(18-23(22)33-3)31-15-13-30(2)14-16-31/h4-12,17-18H,1,13-16H2,2-3H3,(H,27,32)(H,28,29)

InChI Key

SCUMUQJWOMCQLE-UHFFFAOYSA-N

Canonical SMILES

C=CC(=O)Nc1cccc(Oc2cccc(Nc3ccc(N4CCN(C)CC4)cc3OC)n2)c1

Cocrystal structures

No cocrystal structures found for this inhibitor.

Molecular Weight

459.2270398 g/mol

Computed by RDKit

logP

4.553

Computed by ALOGPS

logS

-6.592

Computed by ALOGPS

Heavy Atom Count

34

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

8

Computed by RDKit

Topological Polar Surface Area

78.96 Ų

Computed by RDKit

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No similar natural compounds found for this inhibitor.