3-Pyridinecarboxylic acid, 1,4-dihydro-2,6-dimethyl-5-((methoxymethylamino)carbonyl)-4-(3-nitrophenyl)-, methyl ester
Basic information
- CAS
133147-16-7- Standard SMILES
COC(=O)C1=C(C)NC(C)=C(C(=O)N(C)OC)C1c1cccc([N+](=O)[O-])c1- InChIKey
DSPRWQBESJGGTL-UHFFFAOYSA-N- Molecular formula
- C18H21N3O6
- Average molar mass
- 375.4 g/mol
- Monoisotopic mass
- 375.1430354
Names & identifiers
- Preferred name
- 3-Pyridinecarboxylic acid, 1,4-dihydro-2,6-dimethyl-5-((methoxymethylamino)carbonyl)-4-(3-nitrophenyl)-, methyl ester
- IUPAC
- methyl 5-[methoxy(methyl)carbamoyl]-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate
Names & synonyms
BRN 4274171133147-16-73-Pyridinecarboxylic acid, 1,4-dihydro-2,6-dimethyl-5-((methoxymethylamino)carbonyl)-4-(3-nitrophenyl)-, methyl esterRefChem:282194methyl 5-[methoxy(methyl)carbamoyl]-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylateDTXSID10927971
Database identifiers
- CAS
133147-16-7- PubChem CID
- 3076986
- DTXSID
DTXSID10927971- Nikkaji
- J362.611C
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 114 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 694
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Compound notes
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