N-(2-methoxyethyl)-5-methyl-N-[(1-methyl-1H-pyrazol-4-yl)methyl]pyrazine-2-carboxamide

• ChemBase ID: 861008
• Molecular Formular: C14H19N5O2
• Molecular Mass: 289.33296
• Monoisotopic Mass: 289.15387487
• SMILES: c1(cn(nc1)C)CN(C(=O)c1ncc(nc1)C)CCOC
• Canonical SMILES: COCCN(C(=O)c1cnc(cn1)C)Cc1cnn(c1)C
• InChI: InChI=1S/C14H19N5O2/c1-11-6-16-13(8-15-11)14(20)19(4-5-21-3)10-12-7-17-18(2)9-12/h6-9H,4-5,10H2,1-3H3
• InChIKey: PLUKFWTUUFSZDQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-methoxyethyl)-5-methyl-N-[(1-methyl-1H-pyrazol-4-yl)methyl]pyrazine-2-carboxamide
• IUPAC Traditional name: N-(2-methoxyethyl)-5-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazine-2-carboxamide
• Synonyms: N-(2-methoxyethyl)-5-methyl-N-[(1-methyl-1H-pyrazol-4-yl)methyl]pyrazine-2-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -0.54161024
• LogD (pH = 7.4): -0.5415295
• Log P: -0.54152846
• Molar Refractivity: 89.395 cm^3
• Polarizability: 29.40576 Å^3
• Polar Surface Area: 73.14 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: -0.48
• LOG S: -2.21
• Polar Surface Area: 73.14 Å^2
• Rotatable Bonds: 6