(2-Benzamido-2-oxoethyl) pyridine-2-carboxylate
Basic information
- CAS
1004729-30-9- Standard SMILES
O=C(COC(=O)c1ccccn1)NC(=O)c1ccccc1- InChIKey
YIFXXSOLHFQWHT-UHFFFAOYSA-N- Molecular formula
- C15H12N2O4
- Average molar mass
- 284.27 g/mol
- Monoisotopic mass
- 284.07970687
Names & identifiers
- Preferred name
- (2-Benzamido-2-oxoethyl) pyridine-2-carboxylate
- IUPAC
- (2-benzamido-2-oxoethyl) pyridine-2-carboxylate
Names & synonyms
(2-benzamido-2-oxoethyl) pyridine-2-carboxylateMLS002181708CHEMBL1414489DTXSID501103686HMS3065N19AKOS0168557221004729-30-9SMR001270738Z19672895
Database identifiers
- CAS
1004729-30-9- PubChem CID
- 7477399
- DTXSID
DTXSID501103686- ChEMBL
CHEMBL1414489
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 85.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 391
Experimental & physicochemical properties
Solubility35 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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