N-[1-(3-methylpyridin-2-yl)propan-2-yl]-[1,2,3,4]tetrazolo[1,5-a]pyridine-7-carboxamide

• ChemBase ID: 365781
• Molecular Formular: C15H16N6O
• Molecular Mass: 296.32714
• Monoisotopic Mass: 296.13855916
• SMILES: c12n(nnn1)ccc(c2)C(=O)NC(Cc1ncccc1C)C
• Canonical SMILES: CC(Cc1ncccc1C)NC(=O)c1ccn2c(c1)nnn2
• InChI: InChI=1S/C15H16N6O/c1-10-4-3-6-16-13(10)8-11(2)17-15(22)12-5-7-21-14(9-12)18-19-20-21/h3-7,9,11H,8H2,1-2H3,(H,17,22)
• InChIKey: DPGPCRZDZBECNH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[1-(3-methylpyridin-2-yl)propan-2-yl]-[1,2,3,4]tetrazolo[1,5-a]pyridine-7-carboxamide
• IUPAC Traditional name: N-[1-(3-methylpyridin-2-yl)propan-2-yl]-[1,2,3,4]tetrazolo[1,5-a]pyridine-7-carboxamide
• Synonyms: N-[1-methyl-2-(3-methylpyridin-2-yl)ethyl]tetrazolo[1,5-a]pyridine-7-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.561168
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 1.5032481
• LogD (pH = 7.4): 1.6306148
• Log P: 1.6325307
• Molar Refractivity: 94.2188 cm^3
• Polarizability: 30.37712 Å^3
• Polar Surface Area: 85.07 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 0.29
• LOG S: -1.62
• Polar Surface Area: 85.07 Å^2
• Rotatable Bonds: 4