N-methyl-N-(pyrazin-2-ylmethyl)-1H,4H,5H,6H,7H-imidazo[4,5-c]pyridine-4-carboxamide

• ChemBase ID: 657628
• Molecular Formular: C13H16N6O
• Molecular Mass: 272.30574
• Monoisotopic Mass: 272.13855916
• SMILES: C1(c2nc[nH]c2CCN1)C(=O)N(Cc1nccnc1)C
• Canonical SMILES: O=C(C1NCCc2c1nc[nH]2)N(Cc1cnccn1)C
• InChI: InChI=1S/C13H16N6O/c1-19(7-9-6-14-4-5-15-9)13(20)12-11-10(2-3-16-12)17-8-18-11/h4-6,8,12,16H,2-3,7H2,1H3,(H,17,18)
• InChIKey: UTQFDTQTNWYXAB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-N-(pyrazin-2-ylmethyl)-1H,4H,5H,6H,7H-imidazo[4,5-c]pyridine-4-carboxamide
• IUPAC Traditional name: N-methyl-N-(pyrazin-2-ylmethyl)-1H,4H,5H,6H,7H-imidazo[4,5-c]pyridine-4-carboxamide
• Synonyms: N-methyl-N-(2-pyrazinylmethyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide

CALCULATED PROPERTIES

供应商提供(Chembridge)

• Polar Surface Area: 86.8 Å^2
• Rotatable Bonds: 3
• H Acceptors: 5
• H Donor: 2
• Log P: -2.8
• LOG S: -0.1

JChem

• Rotatable Bonds: 3
• Lipinski's Rule of Five: true
• Acid pKa: 12.888796
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -3.037222
• LogD (pH = 7.4): -1.8746982
• Log P: -1.7688876
• Molar Refractivity: 72.4084 cm^3
• Polarizability: 27.941465 Å^3
• Polar Surface Area: 86.8 Å^2