6-[3-(dimethylamino)phenyl]-N,N-dimethylpyridine-3-carboxamide

• ChemBase ID: 621426
• Molecular Formular: C16H19N3O
• Molecular Mass: 269.34156
• Monoisotopic Mass: 269.15281224
• SMILES: C(=O)(c1cnc(c2cc(N(C)C)ccc2)cc1)N(C)C
• Canonical SMILES: CN(c1cccc(c1)c1ccc(cn1)C(=O)N(C)C)C
• InChI: InChI=1S/C16H19N3O/c1-18(2)14-7-5-6-12(10-14)15-9-8-13(11-17-15)16(20)19(3)4/h5-11H,1-4H3
• InChIKey: DNYFHCCGVXDHIF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-[3-(dimethylamino)phenyl]-N,N-dimethylpyridine-3-carboxamide
• IUPAC Traditional name: 6-[3-(dimethylamino)phenyl]-N,N-dimethylpyridine-3-carboxamide
• Synonyms: 6-[3-(dimethylamino)phenyl]-N,N-dimethylnicotinamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.1081598
• LogD (pH = 7.4): 2.1934826
• Log P: 2.1946855
• Molar Refractivity: 81.9657 cm^3
• Polarizability: 31.74541 Å^3
• Polar Surface Area: 36.44 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 1.17
• LOG S: -2.16
• Polar Surface Area: 36.44 Å^2
• Rotatable Bonds: 3