2-chloro-5-nitro-N-(4-pyridyl)benzamide
Inhibitor information
- CovInDB Inhibitor
- CI008246
- Name
- 2-chloro-5-nitro-N-(4-pyridyl)benzamide
- Molecular Formula
- C12H8ClN3O3
- Molecular Weight
- 277.0254188 g/mol
- Structure
-
- IUPAC Name
- 2-chloro-5-nitro-N-(4-pyridyl)benzamide
- InChI
- InChI=1S/C12H8ClN3O3/c13-11-2-1-9(16(18)19)7-10(11)12(17)15-8-3-5-14-6-4-8/h1-7H,(H,14,15,17)
- InChI Key
- FRPJSHKMZHWJBE-UHFFFAOYSA-N
- Canonical SMILES
- O=C(Nc1ccncc1)c1cc([N+](=O)[O-])ccc1Cl
- Cocrystal structures
- 6C1I 6PDZ 6ONI
Calculated Properties
- Molecular Weight
-
277.0254188 g/mol
Computed by RDKit
- logP
-
2.5
Computed by ALOGPS
- logS
-
-3.74
Computed by ALOGPS
- Heavy Atom Count
-
19
Computed by RDKit
- Ring Count
-
2
Computed by RDKit
- Hydrogen Bond Acceptor Count
-
4
Computed by RDKit
- Hydrogen Bond Donor Count
-
1
Computed by RDKit
- Rotatable Bond Count
-
3
Computed by RDKit
- Topological Polar Surface Area
-
85.13 Å2
Computed by RDKit
3D Structure
targets
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selectivity
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Similar compounds in Virtual Screening library
Similar Natural compounds
No similar natural compounds found for this inhibitor.