6-amino-N-[(5-ethylpyridin-2-yl)methyl]-N-methylpyridine-2-carboxamide

• ChemBase ID: 745814
• Molecular Formular: C15H18N4O
• Molecular Mass: 270.32962
• Monoisotopic Mass: 270.14806122
• SMILES: C(=O)(c1nc(N)ccc1)N(Cc1ncc(cc1)CC)C
• Canonical SMILES: CCc1ccc(nc1)CN(C(=O)c1cccc(n1)N)C
• InChI: InChI=1S/C15H18N4O/c1-3-11-7-8-12(17-9-11)10-19(2)15(20)13-5-4-6-14(16)18-13/h4-9H,3,10H2,1-2H3,(H2,16,18)
• InChIKey: YGTOMFUGFYEGIA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-amino-N-[(5-ethylpyridin-2-yl)methyl]-N-methylpyridine-2-carboxamide
• IUPAC Traditional name: 6-amino-N-[(5-ethylpyridin-2-yl)methyl]-N-methylpyridine-2-carboxamide
• Synonyms: 6-amino-N-[(5-ethylpyridin-2-yl)methyl]-N-methylpyridine-2-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.7015231
• LogD (pH = 7.4): 1.7505466
• Log P: 1.7512103
• Molar Refractivity: 78.9905 cm^3
• Polarizability: 29.389433 Å^3
• Polar Surface Area: 72.11 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.03
• LOG S: -0.75
• Polar Surface Area: 72.11 Å^2
• Rotatable Bonds: 4