N-[2-(2,5-dimethylbenzoyl)phenyl]pyridine-2-carboxamide
Basic information
- CAS
5325-21-3- Standard SMILES
Cc1ccc(C)c(C(=O)c2ccccc2NC(=O)c2ccccn2)c1- InChIKey
OWQGUQADTXKGCH-UHFFFAOYSA-N- Molecular formula
- C21H18N2O2
- Average molar mass
- 330.4 g/mol
- Monoisotopic mass
- 330.13682782
Names & identifiers
- Preferred name
- N-[2-(2,5-dimethylbenzoyl)phenyl]pyridine-2-carboxamide
- IUPAC
- N-[2-(2,5-dimethylbenzoyl)phenyl]pyridine-2-carboxamide
Names & synonyms
N-[2-(2,5-dimethylbenzoyl)phenyl]pyridine-2-carboxamide5325-21-3N-[2-(2,5-dimethylbenzoyl)phenyl]-2-pyridinecarboxamideCBMicro_017845Oprea1_491351Oprea1_733569MLS001001641CHEMBL1488516DTXSID30350601HMS2813J05CCG-6227AKOS024269355
Show more names
SMR000496153BIM-0017619.P001ST4014064EU-0017463SR-01000426229SR-01000426229-1
Database identifiers
- CAS
5325-21-3- PubChem CID
- 684041
- DTXSID
DTXSID30350601- ChEMBL
CHEMBL1488516
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 59.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 479
Experimental & physicochemical properties
Solubility<0.4 [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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