N-(2,6-dimethylphenyl)nicotinamide
Basic information
- CAS
84951-65-5- Standard SMILES
Cc1cccc(C)c1NC(=O)c1cccnc1- InChIKey
JITBOTGCIMNEBT-UHFFFAOYSA-N- Molecular formula
- C14H14N2O
- Average molar mass
- 226.27 g/mol
- Monoisotopic mass
- 226.11061307
Names & identifiers
- Preferred name
- N-(2,6-dimethylphenyl)nicotinamide
- IUPAC
- N-(2,6-dimethylphenyl)pyridine-3-carboxamide
- English name
- N-(2,6-dimethylphenyl)nicotinamide
- Molecular formula
- C14H14N2O
- Molecular weight
- 226.27
Names & synonyms
N-(2,6-dimethylphenyl)nicotinamideN-(2,6-dimethylphenyl)pyridine-3-carboxamide84951-65-5N-(2,6-Dimethyl-phenyl)-nicotinamideRopivacaine Impurity 57Oprea1_324344Oprea1_840149MLS001204778CHEMBL1547836SCHEMBL10473593DTXSID001329641HMS2847A08
Show more names
Ropivacaine-011Ropivacaine Impurity 203-Pyridinecarboxamide, N-(2,6-dimethylphenyl)-Ropivacaine impurity 28/N-(2,6-dimethylphenyl)nicotinamide
STK005174AKOS000670893SMR000514382N-(2,6-dimethylphenyl)-3-pyridylcarboxamideST50299991AB00081981-01AK-968/11163040SR-01000430398
Database identifiers
- CAS
84951-65-5- PubChem CID
- 767628
- DTXSID
DTXSID001329641- ChEMBL
CHEMBL1547836
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 42 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 257
Experimental & physicochemical properties
Solubility33.1 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Boiling point
- 290.3 · 290.3±35.0 °C(predicted)
- Density
- 1.165 · 1.165±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)
- pka
- 12.29 · 12.29±0.70(predicted)
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Compound notes
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