N-[(1R,3R)-3-aminocyclopentyl]-2,6-dimethoxypyridine-3-carboxamide

• ChemBase ID: 771882
• Molecular Formular: C13H19N3O3
• Molecular Mass: 265.30826
• Monoisotopic Mass: 265.14264148
• SMILES: c1(C(=O)N[C@H]2C[C@H](N)CC2)c(nc(cc1)OC)OC
• Canonical SMILES: COc1nc(OC)ccc1C(=O)N[C@@H]1CC[C@H](C1)N
• InChI: InChI=1S/C13H19N3O3/c1-18-11-6-5-10(13(16-11)19-2)12(17)15-9-4-3-8(14)7-9/h5-6,8-9H,3-4,7,14H2,1-2H3,(H,15,17)/t8-,9-/m1/s1
• InChIKey: YEPALCDWZVAKNH-RKDXNWHRSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(1R,3R)-3-aminocyclopentyl]-2,6-dimethoxypyridine-3-carboxamide
• IUPAC Traditional name: N-[(1R,3R)-3-aminocyclopentyl]-2,6-dimethoxypyridine-3-carboxamide
• Synonyms: N-[(1R*,3R*)-3-aminocyclopentyl]-2,6-dimethoxynicotinamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.44394
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -2.5270104
• LogD (pH = 7.4): -1.9778531
• Log P: 0.49176982
• Molar Refractivity: 71.1262 cm^3
• Polarizability: 27.347979 Å^3
• Polar Surface Area: 86.47 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: 1.03
• LOG S: -2.02
• Polar Surface Area: 86.47 Å^2
• Rotatable Bonds: 4