N-(1-Cyano-pyrrolidin-2-ylmethyl)-benzamide

CovInDB Inhibitor

CI000313

Name

N-(1-Cyano-pyrrolidin-2-ylmethyl)-benzamide

Molecular Formula

C₁₃H₁₅N₃O

Molecular Weight

229.28 g/mol

Structure

  Warhead   Similar Compounds

  Download

SDF 2D SDF 3D

IUPAC Name

N-[(1-cyanopyrrolidin-2-yl)methyl]benzamide

InChI

InChI=1S/C13H15N3O/c14-10-16-8-4-7-12(16)9-15-13(17)11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-9H2,(H,15,17)

InChI Key

FOGFAEVNSYGOFG-UHFFFAOYSA-N

Canonical SMILES

N#CN1CCCC1CNC(=O)c1ccccc1

Cocrystal structures

No cocrystal structures found for this inhibitor.

Molecular Weight

229.28 g/mol

Computed by RDKit

logP

1.4

Computed by ALOGPS

logS

-2.07

Computed by ALOGPS

Heavy Atom Count

17

Computed by RDKit

Ring Count

2

Computed by RDKit

Hydrogen Bond Acceptor Count

3

Computed by RDKit

Hydrogen Bond Donor Count

1

Computed by RDKit

Rotatable Bond Count

3

Computed by RDKit

Topological Polar Surface Area

56.13 Ų

Computed by RDKit

  Download

No similar natural compounds found for this inhibitor.