N-(4,6-dimethyl-2-oxo-1,2-dihydropyridin-1-yl)-3-(5-phenyl-2H-1,2,3,4-tetrazol-2-yl)propanamide

• ChemBase ID: 821654
• Molecular Formular: C17H18N6O2
• Molecular Mass: 338.36382
• Monoisotopic Mass: 338.14912385
• SMILES: n1(c(=O)cc(cc1C)C)NC(=O)CCn1nc(nn1)c1ccccc1
• Canonical SMILES: O=C(Nn1c(C)cc(cc1=O)C)CCn1nnc(n1)c1ccccc1
• InChI: InChI=1S/C17H18N6O2/c1-12-10-13(2)23(16(25)11-12)19-15(24)8-9-22-20-17(18-21-22)14-6-4-3-5-7-14/h3-7,10-11H,8-9H2,1-2H3,(H,19,24)
• InChIKey: YUQGKNGQJLQMOI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(4,6-dimethyl-2-oxo-1,2-dihydropyridin-1-yl)-3-(5-phenyl-2H-1,2,3,4-tetrazol-2-yl)propanamide
• IUPAC Traditional name: N-(2,4-dimethyl-6-oxopyridin-1-yl)-3-(5-phenyl-1,2,3,4-tetrazol-2-yl)propanamide
• Synonyms: N-(4,6-dimethyl-2-oxo-1(2H)-pyridinyl)-3-(5-phenyl-2H-tetrazol-2-yl)propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.903914
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 2.240402
• LogD (pH = 7.4): 2.239176
• Log P: 2.2404177
• Molar Refractivity: 117.7888 cm^3
• Polarizability: 35.294437 Å^3
• Polar Surface Area: 93.01 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 1.56
• LOG S: -4.37
• Polar Surface Area: 94.7 Å^2
• Rotatable Bonds: 5