2-methyl-N-(3-phenylprop-2-yn-1-yl)-N-propyl-1,8-naphthyridine-3-carboxamide

• ChemBase ID: 862711
• Molecular Formular: C22H21N3O
• Molecular Mass: 343.42164
• Monoisotopic Mass: 343.16846231
• SMILES: c1(C(=O)N(CC#Cc2ccccc2)CCC)c(nc2c(c1)cccn2)C
• Canonical SMILES: CCCN(C(=O)c1cc2cccnc2nc1C)CC#Cc1ccccc1
• InChI: InChI=1S/C22H21N3O/c1-3-14-25(15-8-11-18-9-5-4-6-10-18)22(26)20-16-19-12-7-13-23-21(19)24-17(20)2/h4-7,9-10,12-13,16H,3,14-15H2,1-2H3
• InChIKey: OCBNFDLUOXPVIL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-N-(3-phenylprop-2-yn-1-yl)-N-propyl-1,8-naphthyridine-3-carboxamide
• IUPAC Traditional name: 2-methyl-N-(3-phenylprop-2-yn-1-yl)-N-propyl-1,8-naphthyridine-3-carboxamide
• Synonyms: 2-methyl-N-(3-phenylprop-2-yn-1-yl)-N-propyl-1,8-naphthyridine-3-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.7452393
• LogD (pH = 7.4): 3.7452426
• Log P: 3.7452426
• Molar Refractivity: 102.3756 cm^3
• Polarizability: 39.53395 Å^3
• Polar Surface Area: 46.09 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 3.05
• LOG S: -4.31
• Polar Surface Area: 46.09 Å^2
• Rotatable Bonds: 6