3-Pyridinecarboxylic acid, 1,4-dihydro-2,6-dimethyl-5-((methyl(2-propynyloxy)amino)carbonyl)-4-(3-nitrophenyl)-, methyl ester
Basic information
- CAS
133147-17-8- Standard SMILES
C#CCON(C)C(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1cccc([N+](=O)[O-])c1- InChIKey
RULLHLPVPLWKSD-UHFFFAOYSA-N- Molecular formula
- C20H21N3O6
- Average molar mass
- 399.4 g/mol
- Monoisotopic mass
- 399.1430354
Names & identifiers
- Preferred name
- 3-Pyridinecarboxylic acid, 1,4-dihydro-2,6-dimethyl-5-((methyl(2-propynyloxy)amino)carbonyl)-4-(3-nitrophenyl)-, methyl ester
- IUPAC
- methyl 2,6-dimethyl-5-[methyl(prop-2-ynoxy)carbamoyl]-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate
Names & synonyms
133147-17-8BRN 42761403-Pyridinecarboxylic acid, 1,4-dihydro-2,6-dimethyl-5-((methyl(2-propynyloxy)amino)carbonyl)-4-(3-nitrophenyl)-, methyl esterRefChem:282196DTXSID70927972Methyl 2,6-dimethyl-5-{methyl[(prop-2-yn-1-yl)oxy]carbamoyl}-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate
Database identifiers
- CAS
133147-17-8- PubChem CID
- 3076987
- DTXSID
DTXSID70927972- Nikkaji
- J362.612A
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 114 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 801
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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