2-methoxy-N-methyl-N-[1-(4-methylpyridin-2-yl)propan-2-yl]pyridine-4-carboxamide

• ChemBase ID: 316955
• Molecular Formular: C17H21N3O2
• Molecular Mass: 299.36754
• Monoisotopic Mass: 299.16337693
• SMILES: C(=O)(N(C(Cc1nccc(c1)C)C)C)c1cc(ncc1)OC
• Canonical SMILES: COc1nccc(c1)C(=O)N(C(Cc1nccc(c1)C)C)C
• InChI: InChI=1S/C17H21N3O2/c1-12-5-7-18-15(9-12)10-13(2)20(3)17(21)14-6-8-19-16(11-14)22-4/h5-9,11,13H,10H2,1-4H3
• InChIKey: YBHWBOWMEALJEN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methoxy-N-methyl-N-[1-(4-methylpyridin-2-yl)propan-2-yl]pyridine-4-carboxamide
• IUPAC Traditional name: 2-methoxy-N-methyl-N-[1-(4-methylpyridin-2-yl)propan-2-yl]pyridine-4-carboxamide
• Synonyms: 2-methoxy-N-methyl-N-[1-methyl-2-(4-methylpyridin-2-yl)ethyl]isonicotinamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.0483484
• LogD (pH = 7.4): 2.242435
• Log P: 2.2456338
• Molar Refractivity: 85.6425 cm^3
• Polarizability: 32.608315 Å^3
• Polar Surface Area: 55.32 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.69
• LOG S: -1.52
• Polar Surface Area: 55.32 Å^2
• Rotatable Bonds: 5