N-[5-[4-(Cyclopropanecarbonyl)piperazin-1-yl]sulfonylpyridin-2-yl]prop-2-enamide

CovInDB Inhibitor

CI001175

Name

N-[5-[4-(Cyclopropanecarbonyl)piperazin-1-yl]sulfonylpyridin-2-yl]prop-2-enamide

Molecular Formula

C₁₆H₂₀N₄O₄S

Molecular Weight

364.4 g/mol

Structure

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SDF 2D SDF 3D

IUPAC Name

N-[5-[4-(cyclopropanecarbonyl)piperazin-1-yl]sulfonyl-2-pyridyl]prop-2-enamide

InChI

InChI=1S/C16H20N4O4S/c1-2-15(21)18-14-6-5-13(11-17-14)25(23,24)20-9-7-19(8-10-20)16(22)12-3-4-12/h2,5-6,11-12H,1,3-4,7-10H2,(H,17,18,21)

InChI Key

XNKJXVISIPHXEU-UHFFFAOYSA-N

Canonical SMILES

C=CC(=O)Nc1ccc(S(=O)(=O)N2CCN(C(=O)C3CC3)CC2)cn1

Cocrystal structures

No cocrystal structures found for this inhibitor.

Molecular Weight

364.4 g/mol

Computed by RDKit

logP

0.04

Computed by ALOGPS

logS

-2.46

Computed by ALOGPS

Heavy Atom Count

25

Computed by RDKit

Ring Count

3

Computed by RDKit

Hydrogen Bond Acceptor Count

5

Computed by RDKit

Hydrogen Bond Donor Count

1

Computed by RDKit

Rotatable Bond Count

5

Computed by RDKit

Topological Polar Surface Area

99.68 Ų

Computed by RDKit

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No similar natural compounds found for this inhibitor.