2-(cyclohexylamino)-6-[(3S)-3-(prop-2-enoylamino)pyrrolidin-1-yl]pyridine-3-carboxamide

CovInDB Inhibitor

CI004497

Name

2-(cyclohexylamino)-6-[(3S)-3-(prop-2-enoylamino)pyrrolidin-1-yl]pyridine-3-carboxamide

Molecular Formula

C₁₉H₂₇N₅O₂

Molecular Weight

357.22 g/mol

Structure

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SDF 2D SDF 3D

IUPAC Name

2-(cyclohexylamino)-6-[(3S)-3-(prop-2-enoylamino)pyrrolidin-1-yl]pyridine-3-carboxamide

InChI

InChI=1S/C19H27N5O2/c1-2-17(25)21-14-10-11-24(12-14)16-9-8-15(18(20)26)19(23-16)22-13-6-4-3-5-7-13/h2,8-9,13-14H,1,3-7,10-12H2,(H2,20,26)(H,21,25)(H,22,23)/t14-/m0/s1

InChI Key

KVMKVVKCTSLERB-AWEZNQCLSA-N

Canonical SMILES

C=CC(=O)N[C@H]1CCN(c2ccc(C(N)=O)c(NC3CCCCC3)n2)C1

Cocrystal structures

No cocrystal structures found for this inhibitor.

Molecular Weight

357.22 g/mol

Computed by RDKit

logP

2.38

Computed by ALOGPS

logS

-3.38

Computed by ALOGPS

Heavy Atom Count

26

Computed by RDKit

Ring Count

3

Computed by RDKit

Hydrogen Bond Acceptor Count

5

Computed by RDKit

Hydrogen Bond Donor Count

3

Computed by RDKit

Rotatable Bond Count

6

Computed by RDKit

Topological Polar Surface Area

100.35 Ų

Computed by RDKit

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No similar natural compounds found for this inhibitor.