N-{1,9-dioxaspiro[5.5]undecan-4-yl}-[1,2,3,4]tetrazolo[1,5-a]pyridine-6-carboxamide

• ChemBase ID: 400439
• Molecular Formular: C15H19N5O3
• Molecular Mass: 317.34306
• Monoisotopic Mass: 317.14878949
• SMILES: n12c(nnn1)ccc(c2)C(=O)NC1CC2(OCC1)CCOCC2
• Canonical SMILES: O=C(c1ccc2n(c1)nnn2)NC1CCOC2(C1)CCOCC2
• InChI: InChI=1S/C15H19N5O3/c21-14(11-1-2-13-17-18-19-20(13)10-11)16-12-3-6-23-15(9-12)4-7-22-8-5-15/h1-2,10,12H,3-9H2,(H,16,21)
• InChIKey: XGGGMGMDEMOEFH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{1,9-dioxaspiro[5.5]undecan-4-yl}-[1,2,3,4]tetrazolo[1,5-a]pyridine-6-carboxamide
• IUPAC Traditional name: N-{1,9-dioxaspiro[5.5]undecan-4-yl}-[1,2,3,4]tetrazolo[1,5-a]pyridine-6-carboxamide
• Synonyms: N-1,9-dioxaspiro[5.5]undec-4-yltetrazolo[1,5-a]pyridine-6-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.691797
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): -0.2766103
• LogD (pH = 7.4): -0.27661034
• Log P: -0.27661014
• Molar Refractivity: 94.9665 cm^3
• Polarizability: 30.971516 Å^3
• Polar Surface Area: 90.64 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: -0.53
• LOG S: -3.11
• Polar Surface Area: 90.64 Å^2
• Rotatable Bonds: 2