6-(dimethylamino)-N-[2-(1,2,3,4-tetrahydroquinolin-1-yl)ethyl]pyridine-3-carboxamide

• ChemBase ID: 631772
• Molecular Formular: C19H24N4O
• Molecular Mass: 324.42006
• Monoisotopic Mass: 324.19501141
• SMILES: c1(C(=O)NCCN2c3c(CCC2)cccc3)cnc(N(C)C)cc1
• Canonical SMILES: O=C(c1ccc(nc1)N(C)C)NCCN1CCCc2c1cccc2
• InChI: InChI=1S/C19H24N4O/c1-22(2)18-10-9-16(14-21-18)19(24)20-11-13-23-12-5-7-15-6-3-4-8-17(15)23/h3-4,6,8-10,14H,5,7,11-13H2,1-2H3,(H,20,24)
• InChIKey: IPLMXMCNHFUMCZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(dimethylamino)-N-[2-(1,2,3,4-tetrahydroquinolin-1-yl)ethyl]pyridine-3-carboxamide
• IUPAC Traditional name: N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-6-(dimethylamino)pyridine-3-carboxamide
• Synonyms: N-[2-(3,4-dihydroquinolin-1(2H)-yl)ethyl]-6-(dimethylamino)nicotinamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.610227
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.7767806
• LogD (pH = 7.4): 2.924517
• Log P: 2.926613
• Molar Refractivity: 99.0465 cm^3
• Polarizability: 36.219975 Å^3
• Polar Surface Area: 48.47 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 3.47
• LOG S: -4.53
• Polar Surface Area: 48.47 Å^2
• Rotatable Bonds: 5