N-cyclopropyl-2-[4-(4-methyl-2,5-dioxoimidazolidin-4-yl)piperidin-1-yl]pyridine-4-carboxamide

• ChemBase ID: 761973
• Molecular Formular: C18H23N5O3
• Molecular Mass: 357.40692
• Monoisotopic Mass: 357.18008962
• SMILES: N1C(=O)C(NC1=O)(C1CCN(c2cc(C(=O)NC3CC3)ccn2)CC1)C
• Canonical SMILES: O=C(c1ccnc(c1)N1CCC(CC1)C1(C)NC(=O)NC1=O)NC1CC1
• InChI: InChI=1S/C18H23N5O3/c1-18(16(25)21-17(26)22-18)12-5-8-23(9-6-12)14-10-11(4-7-19-14)15(24)20-13-2-3-13/h4,7,10,12-13H,2-3,5-6,8-9H2,1H3,(H,20,24)(H2,21,22,25,26)
• InChIKey: DNAFDVMIHOOSEY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopropyl-2-[4-(4-methyl-2,5-dioxoimidazolidin-4-yl)piperidin-1-yl]pyridine-4-carboxamide
• IUPAC Traditional name: N-cyclopropyl-2-[4-(4-methyl-2,5-dioxoimidazolidin-4-yl)piperidin-1-yl]pyridine-4-carboxamide
• Synonyms: N-cyclopropyl-2-[4-(4-methyl-2,5-dioxoimidazolidin-4-yl)piperidin-1-yl]isonicotinamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.156453
• H Acceptors: 5
• H Donor: 3
• LogD (pH = 5.5): 0.429017
• LogD (pH = 7.4): 0.48812005
• Log P: 0.4896948
• Molar Refractivity: 95.6152 cm^3
• Polarizability: 35.81045 Å^3
• Polar Surface Area: 103.43 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: -2.07
• LOG S: -1.35
• Polar Surface Area: 103.43 Å^2
• Rotatable Bonds: 4