3-Pyridinecarboxylic acid, 1,4-dihydro-2,6-dimethyl-5-(((1-methylethoxy)amino)carbonyl)-4-(3-nitrophenyl)-, methyl ester
Basic information
- CAS
133147-12-3- Standard SMILES
COC(=O)C1=C(C)NC(C)=C(C(=O)NOC(C)C)C1c1cccc([N+](=O)[O-])c1- InChIKey
KBCOFDSGMIMDKQ-UHFFFAOYSA-N- Molecular formula
- C19H23N3O6
- Average molar mass
- 389.4 g/mol
- Monoisotopic mass
- 389.15868546
Names & identifiers
- Preferred name
- 3-Pyridinecarboxylic acid, 1,4-dihydro-2,6-dimethyl-5-(((1-methylethoxy)amino)carbonyl)-4-(3-nitrophenyl)-, methyl ester
- IUPAC
- methyl 2,6-dimethyl-4-(3-nitrophenyl)-5-(propan-2-yloxycarbamoyl)-1,4-dihydropyridine-3-carboxylate
Names & synonyms
BRN 4275223133147-12-33-Pyridinecarboxylic acid, 1,4-dihydro-2,6-dimethyl-5-(((1-methylethoxy)amino)carbonyl)-4-(3-nitrophenyl)-, methyl esterRefChem:282187DTXSID209279675-(Methoxycarbonyl)-2,6-dimethyl-4-(3-nitrophenyl)-N-[(propan-2-yl)oxy]-1,4-dihydropyridine-3-carboximidic acid
Database identifiers
- CAS
133147-12-3- PubChem CID
- 3076982
- DTXSID
DTXSID20927967
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 122 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 707
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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