3-Pyridinecarboxylic acid, 5-((3,4,5-trimethoxybenzoyl)amino)-, ethyl ester
Basic information
- CAS
101512-23-6- Standard SMILES
CCOC(=O)c1cncc(NC(=O)c2cc(OC)c(OC)c(OC)c2)c1- InChIKey
PHGYUYMZFFLPGN-UHFFFAOYSA-N- Molecular formula
- C18H20N2O6
- Average molar mass
- 360.4 g/mol
- Monoisotopic mass
- 360.13213636
Names & identifiers
- Preferred name
- 3-Pyridinecarboxylic acid, 5-((3,4,5-trimethoxybenzoyl)amino)-, ethyl ester
- IUPAC
- ethyl 5-[(3,4,5-trimethoxybenzoyl)amino]pyridine-3-carboxylate
Names & synonyms
BRN 5637960101512-23-63-Pyridinecarboxylic acid, 5-((3,4,5-trimethoxybenzoyl)amino)-, ethyl esterEthyl 5-((3,4,5-trimethoxybenzoyl)amino)-3-pyridinecarboxylateEthyl 5-(3,4,5-trimethoxybenzoylamino)nicotinateDTXSID90143975RefChem:282283DTXCID4066466ethyl 5-(3,4,5-trimethoxybenzoylamino)-nicotinateETHYL 5-(3,4,5-TRIMETHOXYBENZAMIDO)PYRIDINE-3-CARBOXYLATE
Database identifiers
- CAS
101512-23-6- PubChem CID
- 3063705
- DTXSID
DTXSID90143975
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 96 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 461
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Compound notes
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