N-phenyl-4-{[1,2,3,4]tetrazolo[1,5-a]pyridine-7-amido}piperidine-1-carboxamide

• ChemBase ID: 629312
• Molecular Formular: C18H19N7O2
• Molecular Mass: 365.38916
• Monoisotopic Mass: 365.16002288
• SMILES: c12n(nnn1)ccc(c2)C(=O)NC1CCN(C(=O)Nc2ccccc2)CC1
• Canonical SMILES: O=C(N1CCC(CC1)NC(=O)c1ccn2c(c1)nnn2)Nc1ccccc1
• InChI: InChI=1S/C18H19N7O2/c26-17(13-6-11-25-16(12-13)21-22-23-25)19-15-7-9-24(10-8-15)18(27)20-14-4-2-1-3-5-14/h1-6,11-12,15H,7-10H2,(H,19,26)(H,20,27)
• InChIKey: UXZGOXUBADDZND-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-phenyl-4-{[1,2,3,4]tetrazolo[1,5-a]pyridine-7-amido}piperidine-1-carboxamide
• IUPAC Traditional name: N-phenyl-4-{[1,2,3,4]tetrazolo[1,5-a]pyridine-7-amido}piperidine-1-carboxamide
• Synonyms: N-[1-(anilinocarbonyl)piperidin-4-yl]tetrazolo[1,5-a]pyridine-7-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.186366
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 1.0386482
• LogD (pH = 7.4): 1.0386478
• Log P: 1.0386484
• Molar Refractivity: 112.98 cm^3
• Polarizability: 36.67263 Å^3
• Polar Surface Area: 104.52 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: 0.14
• LOG S: -3.29
• Polar Surface Area: 104.52 Å^2
• Rotatable Bonds: 3