N-[(3S,4R)-4-propyl-1-{[1,2,3,4]tetrazolo[1,5-a]pyridine-6-carbonyl}pyrrolidin-3-yl]acetamide

• ChemBase ID: 564360
• Molecular Formular: C15H20N6O2
• Molecular Mass: 316.3583
• Monoisotopic Mass: 316.16477391
• SMILES: n12c(nnn1)ccc(C(=O)N1C[C@H]([C@@H](C1)CCC)NC(=O)C)c2
• Canonical SMILES: CCC[C@@H]1CN(C[C@H]1NC(=O)C)C(=O)c1ccc2n(c1)nnn2
• InChI: InChI=1S/C15H20N6O2/c1-3-4-11-7-20(9-13(11)16-10(2)22)15(23)12-5-6-14-17-18-19-21(14)8-12/h5-6,8,11,13H,3-4,7,9H2,1-2H3,(H,16,22)/t11-,13-/m1/s1
• InChIKey: FSULSYMDTOGVHD-DGCLKSJQSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(3S,4R)-4-propyl-1-{[1,2,3,4]tetrazolo[1,5-a]pyridine-6-carbonyl}pyrrolidin-3-yl]acetamide
• IUPAC Traditional name: N-[(3S,4R)-4-propyl-1-{[1,2,3,4]tetrazolo[1,5-a]pyridine-6-carbonyl}pyrrolidin-3-yl]acetamide
• Synonyms: N-[(3S*,4R*)-4-propyl-1-(tetrazolo[1,5-a]pyridin-6-ylcarbonyl)-3-pyrrolidinyl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.0898
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 0.43945035
• LogD (pH = 7.4): 0.43945056
• Log P: 0.43945056
• Molar Refractivity: 96.6012 cm^3
• Polarizability: 31.495676 Å^3
• Polar Surface Area: 92.49 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: -1.08
• LOG S: -1.9
• Polar Surface Area: 92.49 Å^2
• Rotatable Bonds: 4