N-({1-[(2-methyl-1H-imidazol-1-yl)methyl]cyclopropyl}methyl)-3-(6-methyl-2-oxo-1,2-dihydropyridin-1-yl)propanamide

• ChemBase ID: 617781
• Molecular Formular: C18H24N4O2
• Molecular Mass: 328.40876
• Monoisotopic Mass: 328.18992603
• SMILES: n1(c(=O)cccc1C)CCC(=O)NCC1(Cn2c(ncc2)C)CC1
• Canonical SMILES: O=C(CCn1c(C)cccc1=O)NCC1(CC1)Cn1ccnc1C
• InChI: InChI=1S/C18H24N4O2/c1-14-4-3-5-17(24)22(14)10-6-16(23)20-12-18(7-8-18)13-21-11-9-19-15(21)2/h3-5,9,11H,6-8,10,12-13H2,1-2H3,(H,20,23)
• InChIKey: ISPXQLFVOLCDJP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-({1-[(2-methyl-1H-imidazol-1-yl)methyl]cyclopropyl}methyl)-3-(6-methyl-2-oxo-1,2-dihydropyridin-1-yl)propanamide
• IUPAC Traditional name: 3-(2-methyl-6-oxopyridin-1-yl)-N-({1-[(2-methylimidazol-1-yl)methyl]cyclopropyl}methyl)propanamide
• Synonyms: N-({1-[(2-methyl-1H-imidazol-1-yl)methyl]cyclopropyl}methyl)-3-(6-methyl-2-oxopyridin-1(2H)-yl)propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.707291
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.84011275
• LogD (pH = 7.4): -0.07111735
• Log P: 0.1722408
• Molar Refractivity: 94.4677 cm^3
• Polarizability: 35.1736 Å^3
• Polar Surface Area: 67.23 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: -0.24
• LOG S: -2.7
• Polar Surface Area: 68.92 Å^2
• Rotatable Bonds: 7