N,2,5,6-tetramethoxy-N-methylpyridine-3-carboxamide

• ChemBase ID: 102028
• Molecular Formular: C11H16N2O5
• Molecular Mass: 256.25514
• Monoisotopic Mass: 256.10592162
• SMILES: c1(c(nc(c(c1)OC)OC)OC)C(=O)N(C)OC
• Canonical SMILES: CON(C(=O)c1cc(OC)c(nc1OC)OC)C
• InChI: InChI=1S/C11H16N2O5/c1-13(18-5)11(14)7-6-8(15-2)10(17-4)12-9(7)16-3/h6H,1-5H3
• InChIKey: JHYIVTVMUJLJAO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,2,5,6-tetramethoxy-N-methylpyridine-3-carboxamide
• IUPAC Traditional name: N,2,5,6-tetramethoxy-N-methylpyridine-3-carboxamide
• Synonyms: N,2,5,6-tetramethoxy-N-methylnicotinamide

Database IDs

• PubChem SID: 162105654
• PubChem CID: 71300148

CALCULATED PROPERTIES

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 0.920569
• LogD (pH = 7.4): 0.92057
• Log P: 0.92057
• Molar Refractivity: 64.1397 cm^3
• Polarizability: 24.336237 Å^3
• Polar Surface Area: 70.12 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%