6-(dimethylamino)-N-[2-methoxy-1-(pyridin-2-yl)ethyl]-N-methylpyridine-3-carboxamide

• ChemBase ID: 405568
• Molecular Formular: C17H22N4O2
• Molecular Mass: 314.38218
• Monoisotopic Mass: 314.17427596
• SMILES: C(=O)(N(C(c1ncccc1)COC)C)c1cnc(N(C)C)cc1
• Canonical SMILES: COCC(N(C(=O)c1ccc(nc1)N(C)C)C)c1ccccn1
• InChI: InChI=1S/C17H22N4O2/c1-20(2)16-9-8-13(11-19-16)17(22)21(3)15(12-23-4)14-7-5-6-10-18-14/h5-11,15H,12H2,1-4H3
• InChIKey: XRLUPTQIJKUYQA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(dimethylamino)-N-[2-methoxy-1-(pyridin-2-yl)ethyl]-N-methylpyridine-3-carboxamide
• IUPAC Traditional name: 6-(dimethylamino)-N-[2-methoxy-1-(pyridin-2-yl)ethyl]-N-methylpyridine-3-carboxamide
• Synonyms: 6-(dimethylamino)-N-(2-methoxy-1-pyridin-2-ylethyl)-N-methylnicotinamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 1.3970214
• LogD (pH = 7.4): 1.5077379
• Log P: 1.5093206
• Molar Refractivity: 90.2373 cm^3
• Polarizability: 33.839687 Å^3
• Polar Surface Area: 58.56 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 0.67
• LOG S: -0.77
• Polar Surface Area: 58.56 Å^2
• Rotatable Bonds: 6