N-butyl-2-{methyl[2-(morpholine-4-carbonyl)pyridin-4-yl]amino}acetamide

• ChemBase ID: 605019
• Molecular Formular: C17H26N4O3
• Molecular Mass: 334.41334
• Monoisotopic Mass: 334.20049071
• SMILES: C(=O)(c1cc(N(CC(=O)NCCCC)C)ccn1)N1CCOCC1
• Canonical SMILES: CCCCNC(=O)CN(c1ccnc(c1)C(=O)N1CCOCC1)C
• InChI: InChI=1S/C17H26N4O3/c1-3-4-6-19-16(22)13-20(2)14-5-7-18-15(12-14)17(23)21-8-10-24-11-9-21/h5,7,12H,3-4,6,8-11,13H2,1-2H3,(H,19,22)
• InChIKey: PIKMZJMPFFAXNK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-butyl-2-{methyl[2-(morpholine-4-carbonyl)pyridin-4-yl]amino}acetamide
• IUPAC Traditional name: N-butyl-2-{methyl[2-(morpholine-4-carbonyl)pyridin-4-yl]amino}acetamide
• Synonyms: N~1~-butyl-N~2~-methyl-N~2~-[2-(4-morpholinylcarbonyl)-4-pyridinyl]glycinamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.129757
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 0.4956408
• LogD (pH = 7.4): 0.54687816
• Log P: 0.5475753
• Molar Refractivity: 92.5811 cm^3
• Polarizability: 34.86834 Å^3
• Polar Surface Area: 74.77 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: -0.25
• LOG S: -2.73
• Polar Surface Area: 74.77 Å^2
• Rotatable Bonds: 7