(2R)-4-methyl-2-[3-(6-methyl-2-oxo-1,2-dihydropyridin-1-yl)propanamido]pentanamide

• ChemBase ID: 450582
• Molecular Formular: C15H23N3O3
• Molecular Mass: 293.36142
• Monoisotopic Mass: 293.17394161
• SMILES: n1(c(=O)cccc1C)CCC(=O)N[C@@H](C(=O)N)CC(C)C
• Canonical SMILES: CC(C[C@H](C(=O)N)NC(=O)CCn1c(C)cccc1=O)C
• InChI: InChI=1S/C15H23N3O3/c1-10(2)9-12(15(16)21)17-13(19)7-8-18-11(3)5-4-6-14(18)20/h4-6,10,12H,7-9H2,1-3H3,(H2,16,21)(H,17,19)/t12-/m1/s1
• InChIKey: PIZCTDAPZCUCDC-GFCCVEGCSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2R)-4-methyl-2-[3-(6-methyl-2-oxo-1,2-dihydropyridin-1-yl)propanamido]pentanamide
• IUPAC Traditional name: (2R)-4-methyl-2-[3-(2-methyl-6-oxopyridin-1-yl)propanamido]pentanamide
• Synonyms: N~2~-[3-(6-methyl-2-oxopyridin-1(2H)-yl)propanoyl]-D-leucinamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.908019
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.06825523
• LogD (pH = 7.4): 0.068254076
• Log P: 0.06825527
• Molar Refractivity: 82.3383 cm^3
• Polarizability: 30.796833 Å^3
• Polar Surface Area: 92.5 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 0.38
• LOG S: -1.66
• Polar Surface Area: 94.19 Å^2
• Rotatable Bonds: 7