N-{[4-(3-methylpiperidin-1-yl)phenyl]methyl}-[1,2,3,4]tetrazolo[1,5-a]pyridine-7-carboxamide

• ChemBase ID: 695014
• Molecular Formular: C19H22N6O
• Molecular Mass: 350.41758
• Monoisotopic Mass: 350.18550935
• SMILES: c12n(nnn1)ccc(c2)C(=O)NCc1ccc(N2CC(CCC2)C)cc1
• Canonical SMILES: CC1CCCN(C1)c1ccc(cc1)CNC(=O)c1ccn2c(c1)nnn2
• InChI: InChI=1S/C19H22N6O/c1-14-3-2-9-24(13-14)17-6-4-15(5-7-17)12-20-19(26)16-8-10-25-18(11-16)21-22-23-25/h4-8,10-11,14H,2-3,9,12-13H2,1H3,(H,20,26)
• InChIKey: DHYQGJCZADLHFV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{[4-(3-methylpiperidin-1-yl)phenyl]methyl}-[1,2,3,4]tetrazolo[1,5-a]pyridine-7-carboxamide
• IUPAC Traditional name: N-{[4-(3-methylpiperidin-1-yl)phenyl]methyl}-[1,2,3,4]tetrazolo[1,5-a]pyridine-7-carboxamide
• Synonyms: N-[4-(3-methylpiperidin-1-yl)benzyl]tetrazolo[1,5-a]pyridine-7-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.497435
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 2.5954647
• LogD (pH = 7.4): 2.9189305
• Log P: 2.9251049
• Molar Refractivity: 113.7807 cm^3
• Polarizability: 37.267376 Å^3
• Polar Surface Area: 75.42 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.3
• LOG S: -3.72
• Polar Surface Area: 75.42 Å^2
• Rotatable Bonds: 4