4-(2,6-difluoroanilino)-N-[2-(trifluoromethyl)phenyl]pyridine-2-carboxamide

C19H12F5N3O — CID 109222054

IUPAC4-(2,6-difluoroanilino)-N-[2-(trifluoromethyl)phenyl]pyridine-2-carboxamide
SMILESO=C(Nc1ccccc1C(F)(F)F)c1cc(Nc2c(F)cccc2F)ccn1
InChIInChI=1S/C19H12F5N3O/c20-13-5-3-6-14(21)17(13)26-11-8-9-25-16(10-11)18(28)27-15-7-2-1-4-12(15)19(22,23)24/h1-10H,(H,25,26)(H,27,28)
InChIKeyKKAVVJBBQJGFLX-UHFFFAOYSA-N
MW393.32 g/mol
LogP5.37
Rot. Bonds4

About 4-(2,6-difluoroanilino)-N-[2-(trifluoromethyl)phenyl]pyridine-2-carboxamide

4-(2,6-difluoroanilino)-N-[2-(trifluoromethyl)phenyl]pyridine-2-carboxamide (PubChem CID 109222054) has the molecular formula C19H12F5N3O and a molecular weight of 393.32 g/mol. Its IUPAC name is 4-(2,6-difluoroanilino)-N-[2-(trifluoromethyl)phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(2,6-difluoroanilino)-N-[2-(trifluoromethyl)phenyl]pyridine-2-carboxamide
PubChem CID109222054
Molecular FormulaC19H12F5N3O
Molecular Weight393.32 g/mol
Exact Mass393.09
IUPAC Name4-(2,6-difluoroanilino)-N-[2-(trifluoromethyl)phenyl]pyridine-2-carboxamide
SMILESO=C(Nc1ccccc1C(F)(F)F)c1cc(Nc2c(F)cccc2F)ccn1
InChIInChI=1S/C19H12F5N3O/c20-13-5-3-6-14(21)17(13)26-11-8-9-25-16(10-11)18(28)27-15-7-2-1-4-12(15)19(22,23)24/h1-10H,(H,25,26)(H,27,28)
InChIKeyKKAVVJBBQJGFLX-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

N-(2-fluorophenyl)-4-[2-(trifluoromethyl)anilino]pyridine-2-carboxamide
CID 109220614
N-(2-chlorophenyl)-4-(2,6-difluoroanilino)pyridine-2-carboxamide
CID 109220893
5-(2,6-difluoroanilino)-N-[2-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 109200277
4-(2-methylanilino)-N-[2-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 109219031
N-phenyl-4-[2-(trifluoromethyl)anilino]pyridine-2-carboxamide
CID 109218783
N-(2,6-difluorophenyl)-4-(2-fluoroanilino)pyridine-2-carboxamide
CID 109220720
4-(3-methoxyanilino)-N-[2-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 109221605
N-(2-cyanophenyl)-4-[2-(trifluoromethyl)anilino]pyridine-2-carboxamide
CID 109222061
N-(2,6-dichlorophenyl)-4-(2-fluoroanilino)pyridine-2-carboxamide
CID 109220710
N-(2-methylpropyl)-4-[2-(trifluoromethyl)anilino]pyridine-2-carboxamide
CID 109202985
N-(2-bromophenyl)-4-(2-fluoroanilino)pyridine-2-carboxamide
CID 109220697
N-(pyridin-4-ylmethyl)-4-[2-(trifluoromethyl)anilino]pyridine-2-carboxamide
CID 109213332

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-difluoroanilino)-N-[2-(trifluoromethyl)phenyl]pyridine-2-carboxamide?
The IUPAC name of 4-(2,6-difluoroanilino)-N-[2-(trifluoromethyl)phenyl]pyridine-2-carboxamide (CID 109222054) is 4-(2,6-difluoroanilino)-N-[2-(trifluoromethyl)phenyl]pyridine-2-carboxamide.
What is the SMILES notation for 4-(2,6-difluoroanilino)-N-[2-(trifluoromethyl)phenyl]pyridine-2-carboxamide?
The canonical SMILES for 4-(2,6-difluoroanilino)-N-[2-(trifluoromethyl)phenyl]pyridine-2-carboxamide is O=C(Nc1ccccc1C(F)(F)F)c1cc(Nc2c(F)cccc2F)ccn1.
What is the InChIKey of 4-(2,6-difluoroanilino)-N-[2-(trifluoromethyl)phenyl]pyridine-2-carboxamide?
The InChIKey is KKAVVJBBQJGFLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F5N3O/c20-13-5-3-6-14(21)17(13)26-11-8-9-25-16(10-11)18(28)27-15-7-2-1-4-12(15)19(22,23)24/h1-10H,(H,25,26)(H,27,28).
What are the key properties of 4-(2,6-difluoroanilino)-N-[2-(trifluoromethyl)phenyl]pyridine-2-carboxamide?
4-(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 4-(2,6-difluoroanilino)-N-[2-(trifluoromethyl)phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 109222054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).