N,2-dimethyl-N-[1-(4-methylpyridin-2-yl)propan-2-yl]-1,6-naphthyridine-3-carboxamide

• ChemBase ID: 480891
• Molecular Formular: C20H22N4O
• Molecular Mass: 334.41488
• Monoisotopic Mass: 334.17936134
• SMILES: c1(C(=O)N(C(Cc2nccc(c2)C)C)C)c(nc2c(c1)cncc2)C
• Canonical SMILES: Cc1ccnc(c1)CC(N(C(=O)c1cc2cnccc2nc1C)C)C
• InChI: InChI=1S/C20H22N4O/c1-13-5-8-22-17(9-13)10-14(2)24(4)20(25)18-11-16-12-21-7-6-19(16)23-15(18)3/h5-9,11-12,14H,10H2,1-4H3
• InChIKey: XZWNXGRHHQPKQN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,2-dimethyl-N-[1-(4-methylpyridin-2-yl)propan-2-yl]-1,6-naphthyridine-3-carboxamide
• IUPAC Traditional name: N,2-dimethyl-N-[1-(4-methylpyridin-2-yl)propan-2-yl]-1,6-naphthyridine-3-carboxamide
• Synonyms: N,2-dimethyl-N-[1-methyl-2-(4-methylpyridin-2-yl)ethyl]-1,6-naphthyridine-3-carboxamide

CALCULATED PROPERTIES

JChem

• Log P: 2.0978723
• Molar Refractivity: 97.3786 cm^3
• Polarizability: 38.483994 Å^3
• Polar Surface Area: 58.98 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.8994397
• LogD (pH = 7.4): 2.094659

供应商提供(Chembridge)

• Log P: 1.68
• LOG S: -1.77
• Polar Surface Area: 58.98 Å^2
• Rotatable Bonds: 4
• H Acceptors: 4
• H Donor: 0