Basic information
- CAS
5768-40-1- Standard SMILES
O=C(O)c1ccc(NC(=O)c2cccnc2)cc1- InChIKey
LWFBUVHQVCTCKN-UHFFFAOYSA-N- Molecular formula
- C13H10N2O3
- Average molar mass
- 242.23 g/mol
- Monoisotopic mass
- 242.06914219
Names & identifiers
- Preferred name
- Benzoic acid, 4-((3-pyridinylcarbonyl)amino)-
- IUPAC
- 4-(pyridine-3-carbonylamino)benzoic acid
Names & synonyms
5768-40-14-(pyridine-3-carbonylamino)benzoic acidBenzoic acid, 4-((3-pyridinylcarbonyl)amino)-4-(Nicotinamido)benzoic acidp-Nicotinamidobenzoic acidp-Nicotinoylaminobenzoic acid4-[(pyridin-3-ylcarbonyl)amino]benzoic acid4-nicotinoylaminobenzoic acidOprea1_501543SCHEMBL7329481DTXSID40206382LWFBUVHQVCTCKN-UHFFFAOYSA-N
Show more names
STK296790AKOS0001062764-(3-pyridylcarbonylamino)benzoic acid4-(Pyridine-3-carboxamido)benzoic acid4-[(3-Pyridinylcarbony)amino]benzoic acidDB-087416CS-0360184ST50993856
Database identifiers
- CAS
5768-40-1- PubChem CID
- 79836
- DTXSID
DTXSID40206382
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 79.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 311
Related reactions
12 records
Compound notes
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