5-(2,6-difluoroanilino)-N-[2-(trifluoromethyl)phenyl]pyridine-2-carboxamide

C19H12F5N3O — CID 109200277

IUPAC5-(2,6-difluoroanilino)-N-[2-(trifluoromethyl)phenyl]pyridine-2-carboxamide
SMILESO=C(Nc1ccccc1C(F)(F)F)c1ccc(Nc2c(F)cccc2F)cn1
InChIInChI=1S/C19H12F5N3O/c20-13-5-3-6-14(21)17(13)26-11-8-9-16(25-10-11)18(28)27-15-7-2-1-4-12(15)19(22,23)24/h1-10,26H,(H,27,28)
InChIKeyXATWJLGDRWSKLY-UHFFFAOYSA-N
MW393.32 g/mol
LogP5.37
Rot. Bonds4

About 5-(2,6-difluoroanilino)-N-[2-(trifluoromethyl)phenyl]pyridine-2-carboxamide

5-(2,6-difluoroanilino)-N-[2-(trifluoromethyl)phenyl]pyridine-2-carboxamide (PubChem CID 109200277) has the molecular formula C19H12F5N3O and a molecular weight of 393.32 g/mol. Its IUPAC name is 5-(2,6-difluoroanilino)-N-[2-(trifluoromethyl)phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(2,6-difluoroanilino)-N-[2-(trifluoromethyl)phenyl]pyridine-2-carboxamide
PubChem CID109200277
Molecular FormulaC19H12F5N3O
Molecular Weight393.32 g/mol
Exact Mass393.09
IUPAC Name5-(2,6-difluoroanilino)-N-[2-(trifluoromethyl)phenyl]pyridine-2-carboxamide
SMILESO=C(Nc1ccccc1C(F)(F)F)c1ccc(Nc2c(F)cccc2F)cn1
InChIInChI=1S/C19H12F5N3O/c20-13-5-3-6-14(21)17(13)26-11-8-9-16(25-10-11)18(28)27-15-7-2-1-4-12(15)19(22,23)24/h1-10,26H,(H,27,28)
InChIKeyXATWJLGDRWSKLY-UHFFFAOYSA-N
XLogP5.37
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.32
LogP ≤ 55.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,6-difluoroanilino)-N-[2-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 109222054
N-(2,4-difluorophenyl)-5-[2-(trifluoromethyl)anilino]pyridine-2-carboxamide
CID 109200283
5-hydrazinyl-N-[2-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 104642157
5-(2,6-dichloroanilino)-N-(2-fluorophenyl)pyridine-2-carboxamide
CID 109198867
5-(2,6-difluoroanilino)-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide
CID 109200966
5-(4-methoxyanilino)-N-[2-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 109199921
5-(2-fluoroanilino)-N-[2-(trifluoromethyl)phenyl]pyrazine-2-carboxamide
CID 109292424
N-(2,6-difluorophenyl)-5-[4-(trifluoromethyl)anilino]pyridine-2-carboxamide
CID 109200327
5-amino-N-[2-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 81319297
5-(2,6-difluoroanilino)-N-(3-fluorophenyl)pyridine-2-carboxamide
CID 109200665
5-[2-(trifluoromethyl)anilino]pyridine-2-carboxamide
CID 67532141
N-(2,6-difluorophenyl)-5-(quinolin-8-ylamino)pyridine-2-carboxamide
CID 109200781

Frequently Asked Questions

What is the IUPAC name of 5-(2,6-difluoroanilino)-N-[2-(trifluoromethyl)phenyl]pyridine-2-carboxamide?
The IUPAC name of 5-(2,6-difluoroanilino)-N-[2-(trifluoromethyl)phenyl]pyridine-2-carboxamide (CID 109200277) is 5-(2,6-difluoroanilino)-N-[2-(trifluoromethyl)phenyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-(2,6-difluoroanilino)-N-[2-(trifluoromethyl)phenyl]pyridine-2-carboxamide?
The canonical SMILES for 5-(2,6-difluoroanilino)-N-[2-(trifluoromethyl)phenyl]pyridine-2-carboxamide is O=C(Nc1ccccc1C(F)(F)F)c1ccc(Nc2c(F)cccc2F)cn1.
What is the InChIKey of 5-(2,6-difluoroanilino)-N-[2-(trifluoromethyl)phenyl]pyridine-2-carboxamide?
The InChIKey is XATWJLGDRWSKLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F5N3O/c20-13-5-3-6-14(21)17(13)26-11-8-9-16(25-10-11)18(28)27-15-7-2-1-4-12(15)19(22,23)24/h1-10,26H,(H,27,28).
What are the key properties of 5-(2,6-difluoroanilino)-N-[2-(trifluoromethyl)phenyl]pyridine-2-carboxamide?
5-(2,6-difluoroanilino)-N-[2-(trifluoromethyl)phenyl]pyridine-2-carboxamide has a molecular weight of 393.32 g/mol, XLogP of 5.37, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-difluoroanilino)-N-[2-(trifluoromethyl)phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 109200277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).