4-(5-aminopyridin-2-yl)-N,N-diethylbenzamide

• ChemBase ID: 499202
• Molecular Formular: C16H19N3O
• Molecular Mass: 269.34156
• Monoisotopic Mass: 269.15281224
• SMILES: C(=O)(c1ccc(c2ncc(N)cc2)cc1)N(CC)CC
• Canonical SMILES: CCN(C(=O)c1ccc(cc1)c1ccc(cn1)N)CC
• InChI: InChI=1S/C16H19N3O/c1-3-19(4-2)16(20)13-7-5-12(6-8-13)15-10-9-14(17)11-18-15/h5-11H,3-4,17H2,1-2H3
• InChIKey: XZLSWMIAGDBDOM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(5-aminopyridin-2-yl)-N,N-diethylbenzamide
• IUPAC Traditional name: 4-(5-aminopyridin-2-yl)-N,N-diethylbenzamide
• Synonyms: 4-(5-aminopyridin-2-yl)-N,N-diethylbenzamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.9165866
• LogD (pH = 7.4): 1.9705939
• Log P: 1.9713315
• Molar Refractivity: 81.7347 cm^3
• Polarizability: 31.740599 Å^3
• Polar Surface Area: 59.22 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 1.13
• LOG S: -2.13
• Polar Surface Area: 59.22 Å^2
• Rotatable Bonds: 4