3-Pyridinecarboxylic acid, 5-(benzoylamino)-, ethyl ester
Basic information
- CAS
101512-22-5- Standard SMILES
CCOC(=O)c1cncc(NC(=O)c2ccccc2)c1- InChIKey
MMUNFMWSFAMFRW-UHFFFAOYSA-N- Molecular formula
- C15H14N2O3
- Average molar mass
- 270.28 g/mol
- Monoisotopic mass
- 270.10044231
Names & identifiers
- Preferred name
- 3-Pyridinecarboxylic acid, 5-(benzoylamino)-, ethyl ester
- IUPAC
- ethyl 5-benzamidopyridine-3-carboxylate
Names & synonyms
Ethyl 5-benzoylaminonicotinateBRN 5564448Ethyl 5-benzoxyamino-3-pyridinecarboxylate3-Pyridinecarboxylic acid, 5-(benzoylamino)-, ethyl esterRefChem:282290101512-22-5Ethyl 5-benzamidonicotinateMLS000039828SMR000038607ethyl 5-benzamidopyridine-3-carboxylateCBMicro_038289Oprea1_455956
Show more names
ethyl-5-benzoylaminonicotinatecid_657658CHEMBL1501248BDBM38307DTXSID20906277HMS2296M095-benzamidonicotinic acid ethyl esterSTL322026
Database identifiers
- CAS
101512-22-5- PubChem CID
- 657658
- DTXSID
DTXSID20906277- ChEMBL
CHEMBL1501248
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 68.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 340
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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