4-[(3-Phenoxyphenyl)methylidene]-N-pyridazin-3-ylpiperidine-1-carboxamide

CovInDB Inhibitor

CI001137

Name

4-[(3-Phenoxyphenyl)methylidene]-N-pyridazin-3-ylpiperidine-1-carboxamide

Molecular Formula

C₂₃H₂₂N₄O₂

Molecular Weight

386.4 g/mol

Structure

  Warhead   Similar Compounds

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SDF 2D SDF 3D

IUPAC Name

4-[(3-phenoxyphenyl)methylene]-N-pyridazin-3-yl-piperidine-1-carboxamide

InChI

InChI=1S/C23H22N4O2/c28-23(25-22-10-5-13-24-26-22)27-14-11-18(12-15-27)16-19-6-4-9-21(17-19)29-20-7-2-1-3-8-20/h1-10,13,16-17H,11-12,14-15H2,(H,25,26,28)

InChI Key

QQKYRHGJXBDBHG-UHFFFAOYSA-N

Canonical SMILES

O=C(Nc1cccnn1)N1CCC(=Cc2cccc(Oc3ccccc3)c2)CC1

Cocrystal structures

No cocrystal structures found for this inhibitor.

Molecular Weight

386.4 g/mol

Computed by RDKit

logP

3.6

Computed by ALOGPS

logS

-4.21

Computed by ALOGPS

Heavy Atom Count

29

Computed by RDKit

Ring Count

4

Computed by RDKit

Hydrogen Bond Acceptor Count

4

Computed by RDKit

Hydrogen Bond Donor Count

1

Computed by RDKit

Rotatable Bond Count

4

Computed by RDKit

Topological Polar Surface Area

67.35 Ų

Computed by RDKit

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No similar natural compounds found for this inhibitor.