N-[3-(2,3-dihydro-1H-indol-1-yl)propyl]-4-propylpyrimidine-5-carboxamide

• ChemBase ID: 555505
• Molecular Formular: C19H24N4O
• Molecular Mass: 324.42006
• Monoisotopic Mass: 324.19501141
• SMILES: c1(C(=O)NCCCN2c3c(CC2)cccc3)c(ncnc1)CCC
• Canonical SMILES: CCCc1ncncc1C(=O)NCCCN1CCc2c1cccc2
• InChI: InChI=1S/C19H24N4O/c1-2-6-17-16(13-20-14-22-17)19(24)21-10-5-11-23-12-9-15-7-3-4-8-18(15)23/h3-4,7-8,13-14H,2,5-6,9-12H2,1H3,(H,21,24)
• InChIKey: LKCXDNPHSOLJSL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[3-(2,3-dihydro-1H-indol-1-yl)propyl]-4-propylpyrimidine-5-carboxamide
• IUPAC Traditional name: N-[3-(2,3-dihydroindol-1-yl)propyl]-4-propylpyrimidine-5-carboxamide
• Synonyms: N-[3-(2,3-dihydro-1H-indol-1-yl)propyl]-4-propylpyrimidine-5-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.202949
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.3524303
• LogD (pH = 7.4): 2.4093626
• Log P: 2.4101396
• Molar Refractivity: 97.2094 cm^3
• Polarizability: 35.955807 Å^3
• Polar Surface Area: 58.12 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.66
• LOG S: -3.84
• Polar Surface Area: 58.12 Å^2
• Rotatable Bonds: 7