N-ethyl-N-methyl-4-(3-{3-methyl-3H-imidazo[4,5-b]pyridin-2-yl}propanoyl)morpholine-2-carboxamide

• ChemBase ID: 362043
• Molecular Formular: C18H25N5O3
• Molecular Mass: 359.4228
• Monoisotopic Mass: 359.19573969
• SMILES: n1(c(nc2c1nccc2)CCC(=O)N1CC(C(=O)N(CC)C)OCC1)C
• Canonical SMILES: CCN(C(=O)C1OCCN(C1)C(=O)CCc1nc2c(n1C)nccc2)C
• InChI: InChI=1S/C18H25N5O3/c1-4-21(2)18(25)14-12-23(10-11-26-14)16(24)8-7-15-20-13-6-5-9-19-17(13)22(15)3/h5-6,9,14H,4,7-8,10-12H2,1-3H3
• InChIKey: XACVPJXPUOPQSM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-ethyl-N-methyl-4-(3-{3-methyl-3H-imidazo[4,5-b]pyridin-2-yl}propanoyl)morpholine-2-carboxamide
• IUPAC Traditional name: N-ethyl-N-methyl-4-(3-{3-methylimidazo[4,5-b]pyridin-2-yl}propanoyl)morpholine-2-carboxamide
• Synonyms: N-ethyl-N-methyl-4-[3-(3-methyl-3H-imidazo[4,5-b]pyridin-2-yl)propanoyl]-2-morpholinecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 17.669762
• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -0.31028965
• LogD (pH = 7.4): -0.31003988
• Log P: -0.3100367
• Molar Refractivity: 95.8791 cm^3
• Polarizability: 37.51832 Å^3
• Polar Surface Area: 80.56 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 0.17
• LOG S: -3.28
• Polar Surface Area: 80.56 Å^2
• Rotatable Bonds: 5