N-(1-Cyano-pyrrolidin-3-yl)-benzamide

CovInDB Inhibitor

CI000290

Name

N-(1-Cyano-pyrrolidin-3-yl)-benzamide

Molecular Formula

C₁₂H₁₃N₃O

Molecular Weight

215.25 g/mol

Structure

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SDF 2D SDF 3D

IUPAC Name

N-(1-cyanopyrrolidin-3-yl)benzamide

InChI

InChI=1S/C12H13N3O/c13-9-15-7-6-11(8-15)14-12(16)10-4-2-1-3-5-10/h1-5,11H,6-8H2,(H,14,16)

InChI Key

TVMSXSKMOZBDQG-UHFFFAOYSA-N

Canonical SMILES

N#CN1CCC(NC(=O)c2ccccc2)C1

Cocrystal structures

No cocrystal structures found for this inhibitor.

Molecular Weight

215.25 g/mol

Computed by RDKit

logP

0.95

Computed by ALOGPS

logS

-1.66

Computed by ALOGPS

Heavy Atom Count

16

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

2

Computed by RDKit

Topological Polar Surface Area

56.13 Ų

Computed by RDKit

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No similar natural compounds found for this inhibitor.