Basic information
- CAS
172469-82-8- Standard SMILES
Cc1cc(C)cc(Nc2c(C)c[nH]c(=O)c2[N+](=O)[O-])c1- InChIKey
FUPRFIZUIOELKY-UHFFFAOYSA-N- Molecular formula
- C14H15N3O3
- Average molar mass
- 273.29 g/mol
- Monoisotopic mass
- 273.11134135
Names & identifiers
- Preferred name
- 2(1H)-Pyridinone, 4-((3,5-dimethylphenyl)amino)-5-methyl-3-nitro-
- IUPAC
- 4-(3,5-dimethylanilino)-5-methyl-3-nitro-1H-pyridin-2-one
Names & synonyms
172469-82-82(1H)-Pyridinone, 4-((3,5-dimethylphenyl)amino)-5-methyl-3-nitro-5-Methyl-3-nitro-4-((3',5'-dimethylphenyl)tamino)pyridin-2(1H)-one2(1H)-Pyridinone, 4-[(3,5-dimethylphenyl)amino]-5-methyl-3-nitro-5-Methyl-3-nitro-4-[(3',5'-dimethylphenyl)tamino]pyridin-2(1H)-oneCHEMBL142330DTXSID301692954-(3,5-dimethylanilino)-5-methyl-3-nitro-1H-pyridin-2-one3-NO2-2-Pyridinone, 4-PhNH deriv.4-(3,5-Dimethylanilino)-5-methyl-3-nitropyridin-2(1H)-one
Database identifiers
- CAS
172469-82-8- PubChem CID
- 464585
- DTXSID
DTXSID30169295- ChEMBL
CHEMBL142330
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 87 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 480
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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