2-[2-(aminomethyl)morpholin-4-yl]-N-(2,4-dimethoxyphenyl)pyridine-3-carboxamide

• ChemBase ID: 321162
• Molecular Formular: C19H24N4O4
• Molecular Mass: 372.41826
• Monoisotopic Mass: 372.17975527
• SMILES: c1(c(C(=O)Nc2c(cc(cc2)OC)OC)cccn1)N1CC(OCC1)CN
• Canonical SMILES: NCC1OCCN(C1)c1ncccc1C(=O)Nc1ccc(cc1OC)OC
• InChI: InChI=1S/C19H24N4O4/c1-25-13-5-6-16(17(10-13)26-2)22-19(24)15-4-3-7-21-18(15)23-8-9-27-14(11-20)12-23/h3-7,10,14H,8-9,11-12,20H2,1-2H3,(H,22,24)
• InChIKey: LIKVNYFBKZPEGJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[2-(aminomethyl)morpholin-4-yl]-N-(2,4-dimethoxyphenyl)pyridine-3-carboxamide
• IUPAC Traditional name: 2-[2-(aminomethyl)morpholin-4-yl]-N-(2,4-dimethoxyphenyl)pyridine-3-carboxamide
• Synonyms: 2-[2-(aminomethyl)-4-morpholinyl]-N-(2,4-dimethoxyphenyl)nicotinamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.877515
• H Acceptors: 7
• H Donor: 2
• LogD (pH = 5.5): -1.759267
• LogD (pH = 7.4): -0.40495163
• Log P: 1.2788999
• Molar Refractivity: 103.7976 cm^3
• Polarizability: 38.937027 Å^3
• Polar Surface Area: 98.94 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 2
• Log P: 1.03
• LOG S: -2.79
• Polar Surface Area: 98.94 Å^2
• Rotatable Bonds: 6