4-[[3-(5-Chloropyridin-2-yl)oxyphenyl]methyl]-N-pyridin-3-ylpiperidine-1-carboxamide

CovInDB Inhibitor

CI001855

Name

4-[[3-(5-Chloropyridin-2-yl)oxyphenyl]methyl]-N-pyridin-3-ylpiperidine-1-carboxamide

Molecular Formula

C₂₃H₂₃ClN₄O₂

Molecular Weight

422.9 g/mol

Structure

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SDF 2D SDF 3D

IUPAC Name

4-[[3-[(5-chloro-2-pyridyl)oxy]phenyl]methyl]-N-(3-pyridyl)piperidine-1-carboxamide

InChI

InChI=1S/C23H23ClN4O2/c24-19-6-7-22(26-15-19)30-21-5-1-3-18(14-21)13-17-8-11-28(12-9-17)23(29)27-20-4-2-10-25-16-20/h1-7,10,14-17H,8-9,11-13H2,(H,27,29)

InChI Key

UCGHUYFVYSJSHO-UHFFFAOYSA-N

Canonical SMILES

O=C(Nc1cccnc1)N1CCC(Cc2cccc(Oc3ccc(Cl)cn3)c2)CC1

Cocrystal structures

No cocrystal structures found for this inhibitor.

Molecular Weight

422.9 g/mol

Computed by RDKit

logP

4.36

Computed by ALOGPS

logS

-4.43

Computed by ALOGPS

Heavy Atom Count

30

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

5

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.