2,6-dimethoxy-N-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]pyridine-3-carboxamide

• ChemBase ID: 489272
• Molecular Formular: C14H17N3O3S
• Molecular Mass: 307.36808
• Monoisotopic Mass: 307.09906242
• SMILES: C(=O)(c1c(nc(cc1)OC)OC)N(C(c1nccs1)C)C
• Canonical SMILES: COc1nc(OC)ccc1C(=O)N(C(c1nccs1)C)C
• InChI: InChI=1S/C14H17N3O3S/c1-9(13-15-7-8-21-13)17(2)14(18)10-5-6-11(19-3)16-12(10)20-4/h5-9H,1-4H3
• InChIKey: ITCICHIIZPIJPZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,6-dimethoxy-N-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]pyridine-3-carboxamide
• IUPAC Traditional name: 2,6-dimethoxy-N-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]pyridine-3-carboxamide
• Synonyms: 2,6-dimethoxy-N-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]nicotinamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 1.9521646
• LogD (pH = 7.4): 1.9523327
• Log P: 1.9523349
• Molar Refractivity: 79.9682 cm^3
• Polarizability: 30.279633 Å^3
• Polar Surface Area: 64.55 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 2.68
• LOG S: -3.73
• Polar Surface Area: 64.55 Å^2
• Rotatable Bonds: 5