N-[4-(3-bromoanilino)pyrido[3,4-d]pyrimidin-6-yl]-2-methyl-prop-2-enamide

CovInDB Inhibitor

CI002405

Name

N-[4-(3-bromoanilino)pyrido[3,4-d]pyrimidin-6-yl]-2-methyl-prop-2-enamide

Molecular Formula

C₁₇H₁₄BrN₅O

Molecular Weight

383.04 g/mol

Structure

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SDF 2D SDF 3D

IUPAC Name

N-[4-(3-bromoanilino)pyrido[3,4-d]pyrimidin-6-yl]-2-methyl-prop-2-enamide

InChI

InChI=1S/C17H14BrN5O/c1-10(2)17(24)23-15-7-13-14(8-19-15)20-9-21-16(13)22-12-5-3-4-11(18)6-12/h3-9H,1H2,2H3,(H,19,23,24)(H,20,21,22)

InChI Key

UGKRCKRGEISAKC-UHFFFAOYSA-N

Canonical SMILES

C=C(C)C(=O)Nc1cc2c(Nc3cccc(Br)c3)ncnc2cn1

Cocrystal structures

No cocrystal structures found for this inhibitor.

Molecular Weight

383.04 g/mol

Computed by RDKit

logP

3.28

Computed by ALOGPS

logS

-4.41

Computed by ALOGPS

Heavy Atom Count

24

Computed by RDKit

Ring Count

3

Computed by RDKit

Hydrogen Bond Acceptor Count

5

Computed by RDKit

Hydrogen Bond Donor Count

2

Computed by RDKit

Rotatable Bond Count

4

Computed by RDKit

Topological Polar Surface Area

79.8 Ų

Computed by RDKit

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No similar natural compounds found for this inhibitor.