2-(4-{[1,2,3,4]tetrazolo[1,5-a]pyridine-7-carbonyl}morpholin-3-yl)acetamide

• ChemBase ID: 666773
• Molecular Formular: C12H14N6O3
• Molecular Mass: 290.27796
• Monoisotopic Mass: 290.11273834
• SMILES: c12n(nnn1)ccc(C(=O)N1C(CC(=O)N)COCC1)c2
• Canonical SMILES: NC(=O)CC1COCCN1C(=O)c1ccn2c(c1)nnn2
• InChI: InChI=1S/C12H14N6O3/c13-10(19)6-9-7-21-4-3-17(9)12(20)8-1-2-18-11(5-8)14-15-16-18/h1-2,5,9H,3-4,6-7H2,(H2,13,19)
• InChIKey: XXVSYNSAGJYBGM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-{[1,2,3,4]tetrazolo[1,5-a]pyridine-7-carbonyl}morpholin-3-yl)acetamide
• IUPAC Traditional name: 2-(4-{[1,2,3,4]tetrazolo[1,5-a]pyridine-7-carbonyl}morpholin-3-yl)acetamide
• Synonyms: 2-[4-(tetrazolo[1,5-a]pyridin-7-ylcarbonyl)-3-morpholinyl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.465007
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): -1.149755
• LogD (pH = 7.4): -1.1497549
• Log P: -1.1497549
• Molar Refractivity: 84.3735 cm^3
• Polarizability: 26.772015 Å^3
• Polar Surface Area: 115.71 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: -3.27
• LOG S: 0.17
• Polar Surface Area: 115.71 Å^2
• Rotatable Bonds: 3