(2R)-2-cyclohexyl-2-hydroxy-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]acetamide

• ChemBase ID: 594824
• Molecular Formular: C18H27N3O2
• Molecular Mass: 317.42588
• Monoisotopic Mass: 317.21032712
• SMILES: c1(c2c(cnc1C)CNCC2)CNC(=O)[C@@H](C1CCCCC1)O
• Canonical SMILES: O=C([C@@H](C1CCCCC1)O)NCc1c(C)ncc2c1CCNC2
• InChI: InChI=1S/C18H27N3O2/c1-12-16(15-7-8-19-9-14(15)10-20-12)11-21-18(23)17(22)13-5-3-2-4-6-13/h10,13,17,19,22H,2-9,11H2,1H3,(H,21,23)/t17-/m1/s1
• InChIKey: UQJJEPGUHFPMJW-QGZVFWFLSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2R)-2-cyclohexyl-2-hydroxy-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]acetamide
• IUPAC Traditional name: (2R)-2-cyclohexyl-2-hydroxy-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]acetamide
• Synonyms: (2R)-2-cyclohexyl-2-hydroxy-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.909454
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -2.0900617
• LogD (pH = 7.4): -0.5578246
• Log P: 0.93878746
• Molar Refractivity: 90.1599 cm^3
• Polarizability: 35.10311 Å^3
• Polar Surface Area: 74.25 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 3
• Log P: 1.11
• LOG S: -1.16
• Polar Surface Area: 74.25 Å^2
• Rotatable Bonds: 4