N-Phenyl-4-[[3-[5-(trifluoromethyl)pyridin-2-yl]oxyphenyl]methylidene]piperidine-1-carboxamide

CovInDB Inhibitor

CI000752

Name

N-Phenyl-4-[[3-[5-(trifluoromethyl)pyridin-2-yl]oxyphenyl]methylidene]piperidine-1-carboxamide

Molecular Formula

C₂₅H₂₂F₃N₃O₂

Molecular Weight

453.5 g/mol

Structure

  Warhead   Similar Compounds

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SDF 2D SDF 3D

IUPAC Name

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

InChI

InChI=1S/C25H22F3N3O2/c26-25(27,28)20-9-10-23(29-17-20)33-22-8-4-5-19(16-22)15-18-11-13-31(14-12-18)24(32)30-21-6-2-1-3-7-21/h1-10,15-17H,11-14H2,(H,30,32)

InChI Key

NBEFBHIGDRIVJF-UHFFFAOYSA-N

Canonical SMILES

O=C(Nc1ccccc1)N1CCC(=Cc2cccc(Oc3ccc(C(F)(F)F)cn3)c2)CC1

Cocrystal structures

No cocrystal structures found for this inhibitor.

Molecular Weight

453.5 g/mol

Computed by RDKit

logP

5.03

Computed by ALOGPS

logS

-5.38

Computed by ALOGPS

Heavy Atom Count

33

Computed by RDKit

Ring Count

4

Computed by RDKit

Hydrogen Bond Acceptor Count

3

Computed by RDKit

Hydrogen Bond Donor Count

1

Computed by RDKit

Rotatable Bond Count

4

Computed by RDKit

Topological Polar Surface Area

54.46 Ų

Computed by RDKit

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No similar natural compounds found for this inhibitor.