N-[1-(4-ethoxyphenyl)propyl]-[1,2,3,4]tetrazolo[1,5-a]pyridine-7-carboxamide

• ChemBase ID: 438373
• Molecular Formular: C17H19N5O2
• Molecular Mass: 325.36506
• Monoisotopic Mass: 325.15387487
• SMILES: c12n(nnn1)ccc(c2)C(=O)NC(c1ccc(cc1)OCC)CC
• Canonical SMILES: CCOc1ccc(cc1)C(NC(=O)c1ccn2c(c1)nnn2)CC
• InChI: InChI=1S/C17H19N5O2/c1-3-15(12-5-7-14(8-6-12)24-4-2)18-17(23)13-9-10-22-16(11-13)19-20-21-22/h5-11,15H,3-4H2,1-2H3,(H,18,23)
• InChIKey: YNRCJSGWOAEPLU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[1-(4-ethoxyphenyl)propyl]-[1,2,3,4]tetrazolo[1,5-a]pyridine-7-carboxamide
• IUPAC Traditional name: N-[1-(4-ethoxyphenyl)propyl]-[1,2,3,4]tetrazolo[1,5-a]pyridine-7-carboxamide
• Synonyms: N-[1-(4-ethoxyphenyl)propyl]tetrazolo[1,5-a]pyridine-7-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.55708
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 2.7399561
• LogD (pH = 7.4): 2.739956
• Log P: 2.7399561
• Molar Refractivity: 102.8931 cm^3
• Polarizability: 33.860073 Å^3
• Polar Surface Area: 81.41 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 2.37
• LOG S: -3.6
• Polar Surface Area: 81.41 Å^2
• Rotatable Bonds: 6