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

• ChemBase ID: 721863
• Molecular Formular: C16H17N5O2
• Molecular Mass: 311.33848
• Monoisotopic Mass: 311.13822481
• SMILES: c12n(nnn1)ccc(c2)C(=O)NCCc1c(OCC)cccc1
• Canonical SMILES: CCOc1ccccc1CCNC(=O)c1ccn2c(c1)nnn2
• InChI: InChI=1S/C16H17N5O2/c1-2-23-14-6-4-3-5-12(14)7-9-17-16(22)13-8-10-21-15(11-13)18-19-20-21/h3-6,8,10-11H,2,7,9H2,1H3,(H,17,22)
• InChIKey: KWZXDGOZXKLCAN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Polar Surface Area: 81.41 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true
• Acid pKa: 13.459855
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 2.0895197
• LogD (pH = 7.4): 2.0895197
• Log P: 2.08952
• Molar Refractivity: 98.7053 cm^3
• Polarizability: 32.02703 Å^3

供应商提供(Chembridge)

• Polar Surface Area: 81.41 Å^2
• Rotatable Bonds: 6
• H Acceptors: 5
• H Donor: 1
• Log P: 1.42
• LOG S: -2.68