N,N-dimethyl-6-(4-methylthiophen-3-yl)pyridine-2-carboxamide

• ChemBase ID: 529670
• Molecular Formular: C13H14N2OS
• Molecular Mass: 246.32806
• Monoisotopic Mass: 246.08268408
• SMILES: c1(c2nc(C(=O)N(C)C)ccc2)c(csc1)C
• Canonical SMILES: O=C(c1cccc(n1)c1cscc1C)N(C)C
• InChI: InChI=1S/C13H14N2OS/c1-9-7-17-8-10(9)11-5-4-6-12(14-11)13(16)15(2)3/h4-8H,1-3H3
• InChIKey: JRCJNCXHMGYSGF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-dimethyl-6-(4-methylthiophen-3-yl)pyridine-2-carboxamide
• IUPAC Traditional name: N,N-dimethyl-6-(4-methylthiophen-3-yl)pyridine-2-carboxamide
• Synonyms: N,N-dimethyl-6-(4-methyl-3-thienyl)pyridine-2-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.766354
• LogD (pH = 7.4): 2.7663553
• Log P: 2.7663553
• Molar Refractivity: 69.3121 cm^3
• Polarizability: 27.314606 Å^3
• Polar Surface Area: 33.2 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 1.59
• LOG S: -2.35
• Polar Surface Area: 33.2 Å^2
• Rotatable Bonds: 2