N-{[1-(morpholin-4-yl)cyclopentyl]methyl}-2-(pyrrolidin-1-yl)-6-(thiophen-3-yl)pyridine-3-carboxamide

• ChemBase ID: 370436
• Molecular Formular: C24H32N4O2S
• Molecular Mass: 440.60148
• Monoisotopic Mass: 440.22459728
• SMILES: c1(c(C(=O)NCC2(N3CCOCC3)CCCC2)ccc(n1)c1cscc1)N1CCCC1
• Canonical SMILES: O=C(c1ccc(nc1N1CCCC1)c1ccsc1)NCC1(CCCC1)N1CCOCC1
• InChI: InChI=1S/C24H32N4O2S/c29-23(25-18-24(8-1-2-9-24)28-12-14-30-15-13-28)20-5-6-21(19-7-16-31-17-19)26-22(20)27-10-3-4-11-27/h5-7,16-17H,1-4,8-15,18H2,(H,25,29)
• InChIKey: WWHKRDOPJUQAMO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{[1-(morpholin-4-yl)cyclopentyl]methyl}-2-(pyrrolidin-1-yl)-6-(thiophen-3-yl)pyridine-3-carboxamide
• IUPAC Traditional name: N-{[1-(morpholin-4-yl)cyclopentyl]methyl}-2-(pyrrolidin-1-yl)-6-(thiophen-3-yl)pyridine-3-carboxamide
• Synonyms: N-{[1-(4-morpholinyl)cyclopentyl]methyl}-2-(1-pyrrolidinyl)-6-(3-thienyl)nicotinamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.257943
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 2.3668497
• LogD (pH = 7.4): 3.702054
• Log P: 3.8303208
• Molar Refractivity: 125.4257 cm^3
• Polarizability: 48.82412 Å^3
• Polar Surface Area: 57.7 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 5.41
• LOG S: -5.58
• Polar Surface Area: 57.7 Å^2
• Rotatable Bonds: 6