Isonixin
Basic information
- CAS
57021-61-1- Standard SMILES
Cc1cccc(C)c1NC(=O)c1ccc[nH]c1=O- InChIKey
WJDDCFNFNAHLAF-UHFFFAOYSA-N- Molecular formula
- C14H14N2O2
- Average molar mass
- 242.27 g/mol
- Monoisotopic mass
- 242.10552769
Overview
Isonixin is an aromatic amide.
Names & identifiers
- Preferred name
- Isonixin
- IUPAC
- N-(2,6-dimethylphenyl)-2-oxo-1H-pyridine-3-carboxamide
- English name
- isonixin
- Molecular formula
- C14H14N2O2
- Molecular weight
- 242.277
Names & synonyms
IsonixinIsonixineNixyn hermes57021-61-1Isonixinum2-Hydroxy-2',6'-nicotinoxylidideisonixinoBYX6E7M5QEN-(2,6-Dimethylphenyl)-1,2-dihydro-2-oxo-3-pyridinecarboxamideDTXSID808774942-hydroxynicotinic acid 2,6-dimethylanilideRefChem:149593
Show more names
1,2-Dihydro-2-oxo-N-(2,6-xylyl)-3-pyridinecarboxamide3-Pyridinecarboxamide, N-(2,6-dimethylphenyl)-1,2-dihydro-2-oxo-
DTXCID801015571260-521-6Isonixin [INN]NixynN-(2,6-dimethylphenyl)-2-oxo-1H-pyridine-3-carboxamideN-(2,6-dimethylphenyl)-2-oxo-1,2-dihydropyridine-3-carboxamideIsonixin (INN)Isonixina
Database identifiers
- CAS
57021-61-1- PubChem CID
- 68767
- DTXSID
DTXSID80877494- ChEMBL
CHEMBL2105035- ChEBI
CHEBI:134986- UNII
- BYX6E7M5QE
- EC Number
- 260-521-6
- Nikkaji
- J11.828A
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 58.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 402
Physicochemical properties
- Melting point
- 266 · 266-267°
- Boiling point
- 370.08 °C · 370.08°C (rough estimate)
- Density
- 1.1087 · 1.1087 (rough estimate)
- refractive index
- 1.53 · 1.5300 (estimate)
- pka
- 10.21 · 10.21±0.10(Predicted)
- FDA UNII
- 6 E7M5QE · BYX6E7M5QE
- Toxicity
- 50 in · LD50 in male, female mice, male, female rats (mg/kg): 7000, 8000, >6000, >6000 orally; all >2000 i.p. (Cadena)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Toxicity
- LD50 in male, female mice, male, female rats (mg/kg): 7000, 8000, >6000, >6000 orally; all >2000 i.p. (Cadena)
Chemistry & industry
Applications
UsesIsonixin (Isonixine) is a non-steroidal compound. Isonixin can be used for the research of pain and inflammation[1][2][3][4].
Additional notes
DefinitionChEBI: Isonixin is an aromatic amide.
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Compound notes
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