6-[2-fluoro-3-(trifluoromethyl)anilino]-N-(2-methylpropyl)-4-propan-2-ylpyridine-3-carboxamide

C20H23F4N3O — CID 58731692

IUPAC6-[2-fluoro-3-(trifluoromethyl)anilino]-N-(2-methylpropyl)-4-propan-2-ylpyridine-3-carboxamide
SMILESCC(C)CNC(=O)c1cnc(Nc2cccc(C(F)(F)F)c2F)cc1C(C)C
InChIInChI=1S/C20H23F4N3O/c1-11(2)9-26-19(28)14-10-25-17(8-13(14)12(3)4)27-16-7-5-6-15(18(16)21)20(22,23)24/h5-8,10-12H,9H2,1-4H3,(H,25,27)(H,26,28)
InChIKeyDXGHHGXBXAILCY-UHFFFAOYSA-N
MW397.42 g/mol
LogP5.49
Rot. Bonds6

About 6-[2-fluoro-3-(trifluoromethyl)anilino]-N-(2-methylpropyl)-4-propan-2-ylpyridine-3-carboxamide

6-[2-fluoro-3-(trifluoromethyl)anilino]-N-(2-methylpropyl)-4-propan-2-ylpyridine-3-carboxamide (PubChem CID 58731692) has the molecular formula C20H23F4N3O and a molecular weight of 397.42 g/mol. Its IUPAC name is 6-[2-fluoro-3-(trifluoromethyl)anilino]-N-(2-methylpropyl)-4-propan-2-ylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-[2-fluoro-3-(trifluoromethyl)anilino]-N-(2-methylpropyl)-4-propan-2-ylpyridine-3-carboxamide
PubChem CID58731692
Molecular FormulaC20H23F4N3O
Molecular Weight397.42 g/mol
Exact Mass397.18
IUPAC Name6-[2-fluoro-3-(trifluoromethyl)anilino]-N-(2-methylpropyl)-4-propan-2-ylpyridine-3-carboxamide
SMILESCC(C)CNC(=O)c1cnc(Nc2cccc(C(F)(F)F)c2F)cc1C(C)C
InChIInChI=1S/C20H23F4N3O/c1-11(2)9-26-19(28)14-10-25-17(8-13(14)12(3)4)27-16-7-5-6-15(18(16)21)20(22,23)24/h5-8,10-12H,9H2,1-4H3,(H,25,27)(H,26,28)
InChIKeyDXGHHGXBXAILCY-UHFFFAOYSA-N
XLogP5.49
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.42
LogP ≤ 55.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-(3-fluoroanilino)-N-(2-methylpropyl)-4-(trifluoromethyl)pyridine-3-carboxamide
CID 69356121
6-(3-chloroanilino)-N-(2-methylpropyl)-4-propan-2-ylpyridine-3-carboxamide
CID 44570165
2-fluoro-N-(2-methylpropyl)-6-(trifluoromethyl)benzamide
CID 83405796
6-[4-chloro-2-(trifluoromethyl)anilino]-N-(2-methylpropyl)pyridine-3-carboxamide
CID 109151940
6-(3-chloroanilino)-N-(2-ethylbutyl)-4-propan-2-ylpyridine-3-carboxamide
CID 44570167
6-[2-methyl-5-(trifluoromethyl)anilino]-N-(oxan-4-ylmethyl)-4-propan-2-ylpyridine-3-carboxamide
CID 58731811
N-(2-methylpropyl)-4-[2-(trifluoromethyl)anilino]pyridine-2-carboxamide
CID 109202985
N-(2-methylpropyl)-5-[2-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 109224865
6-(3-chloroanilino)-N-(2,2-dimethylpropyl)-4-propan-2-ylpyridine-3-carboxamide
CID 44570166
2-fluoro-N-[2-(methylamino)propyl]-3-(trifluoromethyl)benzamide;hydrochloride
CID 120831181
N-(oxan-4-ylmethyl)-4-propan-2-yl-6-[3-(trifluoromethoxy)anilino]pyridine-3-carboxamide
CID 58731842
2-fluoro-N-(2-methylsulfinylpropyl)-3-(trifluoromethyl)benzamide
CID 115764438

Frequently Asked Questions

What is the IUPAC name of 6-[2-fluoro-3-(trifluoromethyl)anilino]-N-(2-methylpropyl)-4-propan-2-ylpyridine-3-carboxamide?
The IUPAC name of 6-[2-fluoro-3-(trifluoromethyl)anilino]-N-(2-methylpropyl)-4-propan-2-ylpyridine-3-carboxamide (CID 58731692) is 6-[2-fluoro-3-(trifluoromethyl)anilino]-N-(2-methylpropyl)-4-propan-2-ylpyridine-3-carboxamide.
What is the SMILES notation for 6-[2-fluoro-3-(trifluoromethyl)anilino]-N-(2-methylpropyl)-4-propan-2-ylpyridine-3-carboxamide?
The canonical SMILES for 6-[2-fluoro-3-(trifluoromethyl)anilino]-N-(2-methylpropyl)-4-propan-2-ylpyridine-3-carboxamide is CC(C)CNC(=O)c1cnc(Nc2cccc(C(F)(F)F)c2F)cc1C(C)C.
What is the InChIKey of 6-[2-fluoro-3-(trifluoromethyl)anilino]-N-(2-methylpropyl)-4-propan-2-ylpyridine-3-carboxamide?
The InChIKey is DXGHHGXBXAILCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F4N3O/c1-11(2)9-26-19(28)14-10-25-17(8-13(14)12(3)4)27-16-7-5-6-15(18(16)21)20(22,23)24/h5-8,10-12H,9H2,1-4H3,(H,25,27)(H,26,28).
What are the key properties of 6-[2-fluoro-3-(trifluoromethyl)anilino]-N-(2-methylpropyl)-4-propan-2-ylpyridine-3-carboxamide?
6-[2-fluoro-3-(trifluoromethyl)anilino]-N-(2-methylpropyl)-4-propan-2-ylpyridine-3-carboxamide has a molecular weight of 397.42 g/mol, XLogP of 5.49, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-fluoro-3-(trifluoromethyl)anilino]-N-(2-methylpropyl)-4-propan-2-ylpyridine-3-carboxamide is sourced from PubChem (CID 58731692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).