(2R)-2-amino-N-[(5-ethylpyridin-2-yl)methyl]-N,4-dimethylpentanamide

• ChemBase ID: 848402
• Molecular Formular: C15H25N3O
• Molecular Mass: 263.3785
• Monoisotopic Mass: 263.19976244
• SMILES: C(=O)(N(Cc1ncc(cc1)CC)C)[C@@H](CC(C)C)N
• Canonical SMILES: CCc1ccc(nc1)CN(C(=O)[C@@H](CC(C)C)N)C
• InChI: InChI=1S/C15H25N3O/c1-5-12-6-7-13(17-9-12)10-18(4)15(19)14(16)8-11(2)3/h6-7,9,11,14H,5,8,10,16H2,1-4H3/t14-/m1/s1
• InChIKey: ZNFDLOVJEZWPRH-CQSZACIVSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2R)-2-amino-N-[(5-ethylpyridin-2-yl)methyl]-N,4-dimethylpentanamide
• IUPAC Traditional name: (2R)-2-amino-N-[(5-ethylpyridin-2-yl)methyl]-N,4-dimethylpentanamide
• Synonyms: N~1~-[(5-ethylpyridin-2-yl)methyl]-N~1~-methyl-D-leucinamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.86207134
• LogD (pH = 7.4): 0.80132127
• Log P: 1.862071
• Molar Refractivity: 77.3622 cm^3
• Polarizability: 30.502445 Å^3
• Polar Surface Area: 59.22 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.58
• LOG S: -1.17
• Polar Surface Area: 59.22 Å^2
• Rotatable Bonds: 6