N,2-dimethoxy-N-methylpyridine-4-carboxamide

• ChemBase ID: 290818
• Molecular Formular: C9H12N2O3
• Molecular Mass: 196.20318
• Monoisotopic Mass: 196.08479225
• SMILES: O=C(N(OC)C)c1ccnc(OC)c1
• Canonical SMILES: COc1nccc(c1)C(=O)N(OC)C
• InChI: InChI=1S/C9H12N2O3/c1-11(14-3)9(12)7-4-5-10-8(6-7)13-2/h4-6H,1-3H3
• InChIKey: UYQRPQPMWPDCQB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,2-dimethoxy-N-methylpyridine-4-carboxamide
• IUPAC Traditional name: N,2-dimethoxy-N-methylpyridine-4-carboxamide
• Synonyms: N,2-Dimethoxy-N-methylisonicotinamide

Database IDs

• CAS Number: 764708-19-2
• PubChem SID: 180676349
• PubChem CID: 53216603

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.64144474
• LogD (pH = 7.4): 0.6414549
• Log P: 0.641455
• Molar Refractivity: 50.8998 cm^3
• Polarizability: 19.218899 Å^3
• Polar Surface Area: 51.66 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 98%