N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]-3-(2-oxoimidazolidin-1-yl)benzamide

• ChemBase ID: 537241
• Molecular Formular: C20H23N5O2
• Molecular Mass: 365.42892
• Monoisotopic Mass: 365.185175
• SMILES: N1(C(=O)NCC1)c1cc(C(=O)NCc2c3c(cnc2C)CNCC3)ccc1
• Canonical SMILES: O=C1NCCN1c1cccc(c1)C(=O)NCc1c(C)ncc2c1CCNC2
• InChI: InChI=1S/C20H23N5O2/c1-13-18(17-5-6-21-10-15(17)11-23-13)12-24-19(26)14-3-2-4-16(9-14)25-8-7-22-20(25)27/h2-4,9,11,21H,5-8,10,12H2,1H3,(H,22,27)(H,24,26)
• InChIKey: FDXWICQJGAAXCT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]-3-(2-oxoimidazolidin-1-yl)benzamide
• IUPAC Traditional name: N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]-3-(2-oxoimidazolidin-1-yl)benzamide
• Synonyms: N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]-3-(2-oxo-1-imidazolidinyl)benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.885344
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -2.9244907
• LogD (pH = 7.4): -1.3922483
• Log P: 0.1043524
• Molar Refractivity: 103.2212 cm^3
• Polarizability: 38.832294 Å^3
• Polar Surface Area: 86.36 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 3
• Log P: -0.53
• LOG S: -1.42
• Polar Surface Area: 86.36 Å^2
• Rotatable Bonds: 4