3,5-dimethyl-N-[(1-oxidopyridin-1-ium-3-yl)methyl]benzamide
Basic information
- CAS
72569-76-7- Standard SMILES
Cc1cc(C)cc(C(=O)NCc2ccc[n+]([O-])c2)c1- InChIKey
POPNRBUKXYNMNI-UHFFFAOYSA-N- Molecular formula
- C15H16N2O2
- Average molar mass
- 256.3 g/mol
- Monoisotopic mass
- 256.12117776
Names & identifiers
- Preferred name
- 3,5-dimethyl-N-[(1-oxidopyridin-1-ium-3-yl)methyl]benzamide
- IUPAC
- 3,5-dimethyl-N-[(1-oxidopyridin-1-ium-3-yl)methyl]benzamide
Names & synonyms
72569-76-7NSC3708613,5-dimethyl-N-[(1-oxidopyridin-1-ium-3-yl)methyl]benzamideDTXSID70321138NSC-3708613,5-Dimethyl-N-[(1-oxo-1lambda~5~-pyridin-3-yl)methyl]benzamide
Database identifiers
- CAS
72569-76-7- PubChem CID
- 340353
- DTXSID
DTXSID70321138
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 54.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 299
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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