Basic information
- Standard SMILES
Cn1cccc1C(=O)C(C#N)C(=O)Nc1ccccc1- InChIKey
KBQUAIAGRLAZGP-UHFFFAOYSA-N- Molecular formula
- C15H13N3O2
- Average molar mass
- 267.28 g/mol
- Monoisotopic mass
- 267.10077666
Overview
Prinomide is an anilide.
Names & identifiers
- Preferred name
- Prinomide
- IUPAC
- 2-cyano-3-(1-methylpyrrol-2-yl)-3-oxo-N-phenylpropanamide
- English name
- Prinomide
- Molecular formula
- C15H13N3O2
- Molecular weight
- 267.29
Names & synonyms
Prinomide77639-66-8Prinomide [INN]2-cyano-3-(1-methylpyrrol-2-yl)-3-oxo-N-phenylpropanamide6NHC09L02Ialpha-Cyano-1-methyl-beta-oxo-N-phenyl-1H-pyrrole-2-propanamideAC1Q3YWGAC1L1T2NprinomidaUNII-6NHC09L02I2-cyano-3-(1-methyl-1H-pyrrol-2-yl)-3-oxo-N-phenylpropanamidePRINOMIDE [WHO-DD]
Show more names
C10958CGS-10787Bα-Cyano-1-methyl-β-oxo-N-phenyl-1H-pyrrole-2-propanamide1H-Pyrrole-2-propanaMide,a-cyano-1-Methyl-b-oxo-N-phenyl-1H-Pyrrole-2-propanamide, α-cyano-1-methyl-β-oxo-N-phenyl-
CHEBI:8415SCHEMBL5083349CHEMBL2111033DTXSID40868449KBQUAIAGRLAZGP-UHFFFAOYSA-NNS00122769Q27108072-Cyano-1-methyl--oxo-N-phenyl-1H-pyrrole-2-propanamide
Database identifiers
- CAS
77639-66-8- PubChem CID
- 60352
- DTXSID
DTXSID40868449- ChEMBL
CHEMBL2111033- ChEBI
CHEBI:8415- UNII
- 6NHC09L02I
- Nikkaji
- J33.167H
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 74.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 420
Physicochemical properties
- Boiling point
- 550.6 · 550.6±50.0 °C(Predicted)
- Density
- 1.19 · 1.19±0.1 g/cm3(Predicted)
- pka
- -2.83 · -2.83±0.50(Predicted)
- FDA UNII
- 6 NHC09L02I · 6NHC09L02I
Chemistry & industry
Applications
UsesAntirheumatic.
Suppliers1 total
上海遐瑞医药科技有限公司+86 21 61551611
Additional notes
DefinitionChEBI: Prinomide is an anilide.
Related reactions
10 records
Linked notes
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