N-ethyl-6-methyl-5-{5-[2-(methylamino)pyridin-3-yl]-1,2,4-oxadiazol-3-yl}-1,2,3,4-tetrahydro-2,7-naphthyridine-2-carboxamide

• ChemBase ID: 698955
• Molecular Formular: C20H23N7O2
• Molecular Mass: 393.44232
• Monoisotopic Mass: 393.19132301
• SMILES: c1(nc(c2c(nccc2)NC)on1)c1c2c(CN(C(=O)NCC)CC2)cnc1C
• Canonical SMILES: CCNC(=O)N1CCc2c(C1)cnc(c2c1noc(n1)c1cccnc1NC)C
• InChI: InChI=1S/C20H23N7O2/c1-4-22-20(28)27-9-7-14-13(11-27)10-24-12(2)16(14)18-25-19(29-26-18)15-6-5-8-23-17(15)21-3/h5-6,8,10H,4,7,9,11H2,1-3H3,(H,21,23)(H,22,28)
• InChIKey: QAJASYVJIQXPIH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-ethyl-6-methyl-5-{5-[2-(methylamino)pyridin-3-yl]-1,2,4-oxadiazol-3-yl}-1,2,3,4-tetrahydro-2,7-naphthyridine-2-carboxamide
• IUPAC Traditional name: N-ethyl-6-methyl-5-{5-[2-(methylamino)pyridin-3-yl]-1,2,4-oxadiazol-3-yl}-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide
• Synonyms: N-ethyl-6-methyl-5-{5-[2-(methylamino)-3-pyridinyl]-1,2,4-oxadiazol-3-yl}-3,4-dihydro-2,7-naphthyridine-2(1H)-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.997719
• H Acceptors: 6
• H Donor: 2
• LogD (pH = 5.5): 1.4770921
• LogD (pH = 7.4): 1.7046326
• Log P: 1.7083243
• Molar Refractivity: 132.4173 cm^3
• Polarizability: 41.623238 Å^3
• Polar Surface Area: 109.07 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 2
• Log P: 1.58
• LOG S: -3.41
• Polar Surface Area: 109.07 Å^2
• Rotatable Bonds: 4