N-methyl-N-[2-(pyridin-2-yl)ethyl]-1H,4H,5H,6H,7H-imidazo[4,5-c]pyridine-4-carboxamide

• ChemBase ID: 751793
• Molecular Formular: C15H19N5O
• Molecular Mass: 285.34426
• Monoisotopic Mass: 285.15896025
• SMILES: C1(c2nc[nH]c2CCN1)C(=O)N(CCc1ncccc1)C
• Canonical SMILES: O=C(C1NCCc2c1nc[nH]2)N(CCc1ccccn1)C
• InChI: InChI=1S/C15H19N5O/c1-20(9-6-11-4-2-3-7-16-11)15(21)14-13-12(5-8-17-14)18-10-19-13/h2-4,7,10,14,17H,5-6,8-9H2,1H3,(H,18,19)
• InChIKey: DKCXIXAYJIDWCU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-N-[2-(pyridin-2-yl)ethyl]-1H,4H,5H,6H,7H-imidazo[4,5-c]pyridine-4-carboxamide
• IUPAC Traditional name: N-methyl-N-[2-(pyridin-2-yl)ethyl]-1H,4H,5H,6H,7H-imidazo[4,5-c]pyridine-4-carboxamide
• Synonyms: N-methyl-N-[2-(2-pyridinyl)ethyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.888799
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -1.6268868
• LogD (pH = 7.4): -0.42067632
• Log P: -0.31420246
• Molar Refractivity: 79.2647 cm^3
• Polarizability: 30.65499 Å^3
• Polar Surface Area: 73.91 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: -1.45
• LOG S: -0.05
• Polar Surface Area: 73.91 Å^2
• Rotatable Bonds: 4