N-{2-[4-(2-methylpropyl)morpholin-2-yl]ethyl}-[1,2,3,4]tetrazolo[1,5-a]pyridine-5-carboxamide

• ChemBase ID: 537410
• Molecular Formular: C16H24N6O2
• Molecular Mass: 332.40076
• Monoisotopic Mass: 332.19607404
• SMILES: n12c(C(=O)NCCC3OCCN(C3)CC(C)C)cccc2nnn1
• Canonical SMILES: CC(CN1CCOC(C1)CCNC(=O)c1cccc2n1nnn2)C
• InChI: InChI=1S/C16H24N6O2/c1-12(2)10-21-8-9-24-13(11-21)6-7-17-16(23)14-4-3-5-15-18-19-20-22(14)15/h3-5,12-13H,6-11H2,1-2H3,(H,17,23)
• InChIKey: AQAMKEDCOPTSCZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{2-[4-(2-methylpropyl)morpholin-2-yl]ethyl}-[1,2,3,4]tetrazolo[1,5-a]pyridine-5-carboxamide
• IUPAC Traditional name: N-{2-[4-(2-methylpropyl)morpholin-2-yl]ethyl}-[1,2,3,4]tetrazolo[1,5-a]pyridine-5-carboxamide
• Synonyms: N-[2-(4-isobutylmorpholin-2-yl)ethyl]tetrazolo[1,5-a]pyridine-5-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.070875
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): -1.5498273
• LogD (pH = 7.4): 0.21876271
• Log P: 0.9614241
• Molar Refractivity: 103.3768 cm^3
• Polarizability: 34.3179 Å^3
• Polar Surface Area: 84.65 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 0.24
• LOG S: -3.14
• Polar Surface Area: 84.65 Å^2
• Rotatable Bonds: 6