3-Pyridinecarboxylic acid, 1,4-dihydro-2,6-dimethyl-5-((methoxymethylamino)carbonyl)-4-(3-nitrophenyl)-, 2-methylpropyl ester
Basic information
- CAS
133147-15-6- Standard SMILES
CON(C)C(=O)C1=C(C)NC(C)=C(C(=O)OCC(C)C)C1c1cccc([N+](=O)[O-])c1- InChIKey
WYXYDWVEBZWYHY-UHFFFAOYSA-N- Molecular formula
- C21H27N3O6
- Average molar mass
- 417.5 g/mol
- Monoisotopic mass
- 417.18998559
Names & identifiers
- Preferred name
- 3-Pyridinecarboxylic acid, 1,4-dihydro-2,6-dimethyl-5-((methoxymethylamino)carbonyl)-4-(3-nitrophenyl)-, 2-methylpropyl ester
- IUPAC
- 2-methylpropyl 5-[methoxy(methyl)carbamoyl]-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate
Names & synonyms
BRN 4276245133147-15-63-Pyridinecarboxylic acid, 1,4-dihydro-2,6-dimethyl-5-((methoxymethylamino)carbonyl)-4-(3-nitrophenyl)-, 2-methylpropyl esterRefChem:2821932-methylpropyl 5-[methoxy(methyl)carbamoyl]-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylateDTXSID50927970
Database identifiers
- CAS
133147-15-6- PubChem CID
- 3076985
- DTXSID
DTXSID50927970- Nikkaji
- J362.610E
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 114 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 752
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Compound notes
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