6-methyl-N-propyl-5-[5-(pyrazin-2-yl)-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydro-2,7-naphthyridine-2-carboxamide

• ChemBase ID: 668910
• Molecular Formular: C19H21N7O2
• Molecular Mass: 379.41574
• Monoisotopic Mass: 379.17567295
• SMILES: c1(nc(on1)c1nccnc1)c1c2c(CN(C(=O)NCCC)CC2)cnc1C
• Canonical SMILES: CCCNC(=O)N1CCc2c(C1)cnc(c2c1noc(n1)c1cnccn1)C
• InChI: InChI=1S/C19H21N7O2/c1-3-5-22-19(27)26-8-4-14-13(11-26)9-23-12(2)16(14)17-24-18(28-25-17)15-10-20-6-7-21-15/h6-7,9-10H,3-5,8,11H2,1-2H3,(H,22,27)
• InChIKey: IPYTUDOOXGNHRB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-methyl-N-propyl-5-[5-(pyrazin-2-yl)-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydro-2,7-naphthyridine-2-carboxamide
• IUPAC Traditional name: 6-methyl-N-propyl-5-[5-(pyrazin-2-yl)-1,2,4-oxadiazol-3-yl]-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide
• Synonyms: 6-methyl-N-propyl-5-[5-(2-pyrazinyl)-1,2,4-oxadiazol-3-yl]-3,4-dihydro-2,7-naphthyridine-2(1H)-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.047222
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): 1.1486286
• LogD (pH = 7.4): 1.1715903
• Log P: 1.1718916
• Molar Refractivity: 123.9051 cm^3
• Polarizability: 39.61317 Å^3
• Polar Surface Area: 109.93 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 1
• Log P: 0.69
• LOG S: -2.56
• Polar Surface Area: 109.93 Å^2
• Rotatable Bonds: 4