2-(2,5-dioxo-1-propylimidazolidin-4-yl)-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]acetamide

• ChemBase ID: 533465
• Molecular Formular: C18H25N5O3
• Molecular Mass: 359.4228
• Monoisotopic Mass: 359.19573969
• SMILES: N1(C(=O)NC(C1=O)CC(=O)NCc1c2c(cnc1C)CNCC2)CCC
• Canonical SMILES: CCCN1C(=O)NC(C1=O)CC(=O)NCc1c(C)ncc2c1CCNC2
• InChI: InChI=1S/C18H25N5O3/c1-3-6-23-17(25)15(22-18(23)26)7-16(24)21-10-14-11(2)20-9-12-8-19-5-4-13(12)14/h9,15,19H,3-8,10H2,1-2H3,(H,21,24)(H,22,26)
• InChIKey: HMVPTVXWKQLHGV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2,5-dioxo-1-propylimidazolidin-4-yl)-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]acetamide
• IUPAC Traditional name: 2-(2,5-dioxo-1-propylimidazolidin-4-yl)-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]acetamide
• Synonyms: 2-(2,5-dioxo-1-propyl-4-imidazolidinyl)-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.496694
• H Acceptors: 5
• H Donor: 3
• LogD (pH = 5.5): -3.795964
• LogD (pH = 7.4): -2.2637856
• Log P: -0.76712006
• Molar Refractivity: 96.0684 cm^3
• Polarizability: 36.948772 Å^3
• Polar Surface Area: 103.43 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 3
• Log P: -1.34
• LOG S: -0.69
• Polar Surface Area: 103.43 Å^2
• Rotatable Bonds: 6