N-(pyrazin-2-yl)-2-[(pyridin-4-ylmethyl)amino]acetamide

• ChemBase ID: 407294
• Molecular Formular: C12H13N5O
• Molecular Mass: 243.26452
• Monoisotopic Mass: 243.11201006
• SMILES: N(C(=O)CNCc1ccncc1)c1nccnc1
• Canonical SMILES: O=C(Nc1cnccn1)CNCc1ccncc1
• InChI: InChI=1S/C12H13N5O/c18-12(17-11-8-14-5-6-16-11)9-15-7-10-1-3-13-4-2-10/h1-6,8,15H,7,9H2,(H,16,17,18)
• InChIKey: XCGFHAJLSMPCDX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(pyrazin-2-yl)-2-[(pyridin-4-ylmethyl)amino]acetamide
• IUPAC Traditional name: N-(pyrazin-2-yl)-2-[(pyridin-4-ylmethyl)amino]acetamide
• Synonyms: N-pyrazin-2-yl-2-[(pyridin-4-ylmethyl)amino]acetamide

CALCULATED PROPERTIES

JChem

• Polar Surface Area: 79.8 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true
• Acid pKa: 11.337935
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -2.8441849
• LogD (pH = 7.4): -1.1389387
• Log P: -0.6146799
• Molar Refractivity: 67.5107 cm^3
• Polarizability: 25.486877 Å^3

供应商提供(Chembridge)

• Polar Surface Area: 79.8 Å^2
• Rotatable Bonds: 5
• H Acceptors: 5
• H Donor: 2
• Log P: -0.36
• LOG S: -0.68