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

• ChemBase ID: 776539
• Molecular Formular: C22H28N4O
• Molecular Mass: 364.48392
• Monoisotopic Mass: 364.22631154
• SMILES: c1(c2c(cnc1C)CNCC2)CNC(=O)CN1CC(CC1)c1ccccc1
• Canonical SMILES: O=C(CN1CCC(C1)c1ccccc1)NCc1c(C)ncc2c1CCNC2
• InChI: InChI=1S/C22H28N4O/c1-16-21(20-7-9-23-11-19(20)12-24-16)13-25-22(27)15-26-10-8-18(14-26)17-5-3-2-4-6-17/h2-6,12,18,23H,7-11,13-15H2,1H3,(H,25,27)
• InChIKey: OFBMWYQOJSNKKC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]-2-(3-phenylpyrrolidin-1-yl)acetamide
• IUPAC Traditional name: N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]-2-(3-phenylpyrrolidin-1-yl)acetamide
• Synonyms: N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]-2-(3-phenyl-1-pyrrolidinyl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.379248
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -4.0519843
• LogD (pH = 7.4): -0.795801
• Log P: 1.2258687
• Molar Refractivity: 108.504 cm^3
• Polarizability: 41.853928 Å^3
• Polar Surface Area: 57.26 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 1.22
• LOG S: -1.6
• Polar Surface Area: 57.26 Å^2
• Rotatable Bonds: 5