Basic information
- Standard SMILES
CCOC(=O)c1ccc(Nc2cc(Br)cn(C)c2=O)cc1- InChIKey
MVMHHTNFASKEIT-UHFFFAOYSA-N- Molecular formula
- C15H15BrN2O3
- Average molar mass
- 351.19 g/mol
Names & identifiers
- Preferred name
- 4-(5-Bromo-1-methyl-2-oxo-1,2-dihydropyridin-3-ylamino)-benzoic acid ethyl ester
- IUPAC
- ethyl 4-[(5-bromo-1-methyl-2-oxo-3-pyridinyl)amino]benzoate
Names & synonyms
SCHEMBL1066401MVMHHTNFASKEIT-UHFFFAOYSA-N4-(5-Bromo-1-methyl-2-oxo-1,2-dihydropyridin-3-ylamino)-benzoic acid ethyl ester
Database identifiers
- PubChem CID
- 58729035
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 58.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 479
Related reactions
3 records
Compound notes
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