N-{2-[(4-methylpyridin-2-yl)amino]ethyl}-2-[5-(morpholin-4-ylmethyl)-1H-1,2,3,4-tetrazol-1-yl]acetamide

• ChemBase ID: 384109
• Molecular Formular: C16H24N8O2
• Molecular Mass: 360.41416
• Monoisotopic Mass: 360.20222205
• SMILES: n1(c(nnn1)CN1CCOCC1)CC(=O)NCCNc1nccc(c1)C
• Canonical SMILES: O=C(Cn1nnnc1CN1CCOCC1)NCCNc1nccc(c1)C
• InChI: InChI=1S/C16H24N8O2/c1-13-2-3-17-14(10-13)18-4-5-19-16(25)12-24-15(20-21-22-24)11-23-6-8-26-9-7-23/h2-3,10H,4-9,11-12H2,1H3,(H,17,18)(H,19,25)
• InChIKey: GPBMKGOZUWANKN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{2-[(4-methylpyridin-2-yl)amino]ethyl}-2-[5-(morpholin-4-ylmethyl)-1H-1,2,3,4-tetrazol-1-yl]acetamide
• IUPAC Traditional name: N-{2-[(4-methylpyridin-2-yl)amino]ethyl}-2-[5-(morpholin-4-ylmethyl)-1,2,3,4-tetrazol-1-yl]acetamide
• Synonyms: N-{2-[(4-methylpyridin-2-yl)amino]ethyl}-2-[5-(morpholin-4-ylmethyl)-1H-tetrazol-1-yl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.919794
• H Acceptors: 8
• H Donor: 2
• LogD (pH = 5.5): -2.1636164
• LogD (pH = 7.4): -1.0860032
• Log P: -0.7918033
• Molar Refractivity: 110.7629 cm^3
• Polarizability: 36.335293 Å^3
• Polar Surface Area: 110.09 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 2
• Log P: -0.58
• LOG S: -2.64
• Polar Surface Area: 110.09 Å^2
• Rotatable Bonds: 8