2-Cyano-N-(4-methoxyphenyl)acetamide
Inhibitor information
- CovInDB Inhibitor
- CI000061
- Name
- 2-Cyano-N-(4-methoxyphenyl)acetamide
- Molecular Formula
- C10H10N2O2
- Molecular Weight
- 190.2 g/mol
- Structure
-
- IUPAC Name
- 2-cyano-N-(4-methoxyphenyl)acetamide
- InChI
- InChI=1S/C10H10N2O2/c1-14-9-4-2-8(3-5-9)12-10(13)6-7-11/h2-5H,6H2,1H3,(H,12,13)
- InChI Key
- VFDUTASVNHKUJM-UHFFFAOYSA-N
- Canonical SMILES
- COc1ccc(NC(=O)CC#N)cc1
- Cocrystal structures
- No cocrystal structures found for this inhibitor.
Calculated Properties
- Molecular Weight
-
190.2 g/mol
Computed by RDKit
- logP
-
1.23
Computed by ALOGPS
- logS
-
-2.43
Computed by ALOGPS
- Heavy Atom Count
-
14
Computed by RDKit
- Ring Count
-
1
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
-
62.12 Å2
Computed by RDKit
3D Structure
Show Warhead
targets
| Name | ID | Warhead | Reaction Mechanism | Target Site | Activity Type | Relation | Value | Unit | Experiment Method | Assay | Reference |
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