2-amino-1-{6-methyl-5-[5-(6-methylpyridin-3-yl)-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydro-2,7-naphthyridin-2-yl}ethan-1-one

• ChemBase ID: 649667
• Molecular Formular: C19H20N6O2
• Molecular Mass: 364.4011
• Monoisotopic Mass: 364.16477391
• SMILES: c1(nc(on1)c1cnc(cc1)C)c1c2c(CN(C(=O)CN)CC2)cnc1C
• Canonical SMILES: NCC(=O)N1CCc2c(C1)cnc(c2c1noc(n1)c1ccc(nc1)C)C
• InChI: InChI=1S/C19H20N6O2/c1-11-3-4-13(8-21-11)19-23-18(24-27-19)17-12(2)22-9-14-10-25(16(26)7-20)6-5-15(14)17/h3-4,8-9H,5-7,10,20H2,1-2H3
• InChIKey: FKVFSFOBOLUYQO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-1-{6-methyl-5-[5-(6-methylpyridin-3-yl)-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydro-2,7-naphthyridin-2-yl}ethan-1-one
• IUPAC Traditional name: 2-amino-1-{6-methyl-5-[5-(6-methylpyridin-3-yl)-1,2,4-oxadiazol-3-yl]-3,4-dihydro-1H-2,7-naphthyridin-2-yl}ethanone
• Synonyms: 2-[6-methyl-5-[5-(6-methyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-3,4-dihydro-2,7-naphthyridin-2(1H)-yl]-2-oxoethanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): -2.080217
• LogD (pH = 7.4): -0.30323052
• Log P: 0.5016922
• Molar Refractivity: 121.5392 cm^3
• Polarizability: 38.947475 Å^3
• Polar Surface Area: 111.03 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 1
• Log P: -0.18
• LOG S: -3.01
• Polar Surface Area: 111.03 Å^2
• Rotatable Bonds: 3