N-cyclopropyl-5-(6-methoxypyridin-3-yl)thiophene-2-carboxamide

• ChemBase ID: 846616
• Molecular Formular: C14H14N2O2S
• Molecular Mass: 274.33816
• Monoisotopic Mass: 274.0775987
• SMILES: s1c(C(=O)NC2CC2)ccc1c1cnc(cc1)OC
• Canonical SMILES: COc1ccc(cn1)c1ccc(s1)C(=O)NC1CC1
• InChI: InChI=1S/C14H14N2O2S/c1-18-13-7-2-9(8-15-13)11-5-6-12(19-11)14(17)16-10-3-4-10/h2,5-8,10H,3-4H2,1H3,(H,16,17)
• InChIKey: HZMJEDSJDSHFQC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopropyl-5-(6-methoxypyridin-3-yl)thiophene-2-carboxamide
• IUPAC Traditional name: N-cyclopropyl-5-(6-methoxypyridin-3-yl)thiophene-2-carboxamide
• Synonyms: N-cyclopropyl-5-(6-methoxypyridin-3-yl)thiophene-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.523682
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.288856
• LogD (pH = 7.4): 2.2890508
• Log P: 2.2890534
• Molar Refractivity: 73.6743 cm^3
• Polarizability: 29.202314 Å^3
• Polar Surface Area: 51.22 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.18
• LOG S: -3.06
• Polar Surface Area: 51.22 Å^2
• Rotatable Bonds: 4