N-methyl-2-{5-[(4-methylpiperidin-1-yl)methyl]-1H-1,2,3,4-tetrazol-1-yl}-N-(pyridin-3-ylmethyl)acetamide

• ChemBase ID: 317818
• Molecular Formular: C17H25N7O
• Molecular Mass: 343.4267
• Monoisotopic Mass: 343.21205846
• SMILES: n1(c(nnn1)CN1CCC(CC1)C)CC(=O)N(Cc1cnccc1)C
• Canonical SMILES: CC1CCN(CC1)Cc1nnnn1CC(=O)N(Cc1cccnc1)C
• InChI: InChI=1S/C17H25N7O/c1-14-5-8-23(9-6-14)12-16-19-20-21-24(16)13-17(25)22(2)11-15-4-3-7-18-10-15/h3-4,7,10,14H,5-6,8-9,11-13H2,1-2H3
• InChIKey: SMRAPIXRFIHUDM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-2-{5-[(4-methylpiperidin-1-yl)methyl]-1H-1,2,3,4-tetrazol-1-yl}-N-(pyridin-3-ylmethyl)acetamide
• IUPAC Traditional name: N-methyl-2-{5-[(4-methylpiperidin-1-yl)methyl]-1,2,3,4-tetrazol-1-yl}-N-(pyridin-3-ylmethyl)acetamide
• Synonyms: N-methyl-2-{5-[(4-methyl-1-piperidinyl)methyl]-1H-tetrazol-1-yl}-N-(3-pyridinylmethyl)acetamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): -0.8918517
• LogD (pH = 7.4): 0.08756637
• Log P: 0.12985367
• Molar Refractivity: 108.2508 cm^3
• Polarizability: 36.36342 Å^3
• Polar Surface Area: 80.04 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 0
• Log P: 0.7
• LOG S: -0.75
• Polar Surface Area: 80.04 Å^2
• Rotatable Bonds: 6