2-(methylamino)-N-[3-(1,2,3,4-tetrahydroquinolin-1-yl)propyl]pyridine-4-carboxamide

• ChemBase ID: 747853
• Molecular Formular: C19H24N4O
• Molecular Mass: 324.42006
• Monoisotopic Mass: 324.19501141
• SMILES: N1(c2c(CCC1)cccc2)CCCNC(=O)c1cc(ncc1)NC
• Canonical SMILES: CNc1nccc(c1)C(=O)NCCCN1CCCc2c1cccc2
• InChI: InChI=1S/C19H24N4O/c1-20-18-14-16(9-11-21-18)19(24)22-10-5-13-23-12-4-7-15-6-2-3-8-17(15)23/h2-3,6,8-9,11,14H,4-5,7,10,12-13H2,1H3,(H,20,21)(H,22,24)
• InChIKey: ISWFRJISQKQDHY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(methylamino)-N-[3-(1,2,3,4-tetrahydroquinolin-1-yl)propyl]pyridine-4-carboxamide
• IUPAC Traditional name: N-[3-(3,4-dihydro-2H-quinolin-1-yl)propyl]-2-(methylamino)pyridine-4-carboxamide
• Synonyms: N-[3-(3,4-dihydroquinolin-1(2H)-yl)propyl]-2-(methylamino)isonicotinamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.338956
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.9625269
• LogD (pH = 7.4): 2.3447237
• Log P: 2.3513072
• Molar Refractivity: 99.6771 cm^3
• Polarizability: 36.220894 Å^3
• Polar Surface Area: 57.26 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 2
• Log P: 3.11
• LOG S: -4.22
• Polar Surface Area: 57.26 Å^2
• Rotatable Bonds: 6