3-Pyridinecarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-5-(((2-propynyloxy)amino)carbonyl)-, methyl ester
Basic information
- CAS
133147-13-4- Standard SMILES
C#CCONC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1cccc([N+](=O)[O-])c1- InChIKey
IKWXCICVODTWPL-UHFFFAOYSA-N- Molecular formula
- C19H19N3O6
- Average molar mass
- 385.4 g/mol
- Monoisotopic mass
- 385.12738533
Names & identifiers
- Preferred name
- 3-Pyridinecarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-5-(((2-propynyloxy)amino)carbonyl)-, methyl ester
- IUPAC
- methyl 2,6-dimethyl-4-(3-nitrophenyl)-5-(prop-2-ynoxycarbamoyl)-1,4-dihydropyridine-3-carboxylate
Names & synonyms
BRN 4275222133147-13-43-Pyridinecarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-5-(((2-propynyloxy)amino)carbonyl)-, methyl esterRefChem:282185DTXSID809279685-(Methoxycarbonyl)-2,6-dimethyl-4-(3-nitrophenyl)-N-[(prop-2-yn-1-yl)oxy]-1,4-dihydropyridine-3-carboximidic acid
Database identifiers
- CAS
133147-13-4- PubChem CID
- 3076983
- DTXSID
DTXSID80927968- Nikkaji
- J362.608C
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 122 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 770
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Compound notes
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