N-(2,6-difluorophenyl)-5-[4-(trifluoromethyl)anilino]pyridine-2-carboxamide

C19H12F5N3O — CID 109200327

IUPACN-(2,6-difluorophenyl)-5-[4-(trifluoromethyl)anilino]pyridine-2-carboxamide
SMILESO=C(Nc1c(F)cccc1F)c1ccc(Nc2ccc(C(F)(F)F)cc2)cn1
InChIInChI=1S/C19H12F5N3O/c20-14-2-1-3-15(21)17(14)27-18(28)16-9-8-13(10-25-16)26-12-6-4-11(5-7-12)19(22,23)24/h1-10,26H,(H,27,28)
InChIKeyPVPLYLXTYOFQNX-UHFFFAOYSA-N
MW393.32 g/mol
LogP5.37
Rot. Bonds4

About N-(2,6-difluorophenyl)-5-[4-(trifluoromethyl)anilino]pyridine-2-carboxamide

N-(2,6-difluorophenyl)-5-[4-(trifluoromethyl)anilino]pyridine-2-carboxamide (PubChem CID 109200327) has the molecular formula C19H12F5N3O and a molecular weight of 393.32 g/mol. Its IUPAC name is N-(2,6-difluorophenyl)-5-[4-(trifluoromethyl)anilino]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2,6-difluorophenyl)-5-[4-(trifluoromethyl)anilino]pyridine-2-carboxamide
PubChem CID109200327
Molecular FormulaC19H12F5N3O
Molecular Weight393.32 g/mol
Exact Mass393.09
IUPAC NameN-(2,6-difluorophenyl)-5-[4-(trifluoromethyl)anilino]pyridine-2-carboxamide
SMILESO=C(Nc1c(F)cccc1F)c1ccc(Nc2ccc(C(F)(F)F)cc2)cn1
InChIInChI=1S/C19H12F5N3O/c20-14-2-1-3-15(21)17(14)27-18(28)16-9-8-13(10-25-16)26-12-6-4-11(5-7-12)19(22,23)24/h1-10,26H,(H,27,28)
InChIKeyPVPLYLXTYOFQNX-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-(3-methylphenyl)-5-[4-(trifluoromethyl)anilino]pyridine-2-carboxamide
CID 109197325
N-(2,6-difluorophenyl)-5-(2,3,4-trifluoroanilino)pyridine-2-carboxamide
CID 109200969
5-(2,6-difluoroanilino)-N-[2-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 109200277
N-propan-2-yl-5-[4-(trifluoromethyl)anilino]pyridine-2-carboxamide
CID 109179578
2-fluoro-N-[5-[4-(trifluoromethyl)anilino]-2-pyridinyl]benzamide
CID 113034912
N-butyl-5-[4-(trifluoromethyl)anilino]pyridine-2-carboxamide
CID 109180759
5-(3-fluoroanilino)-N-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 109200292
5-(cyclopropylamino)-N-(2,6-difluorophenyl)pyridine-2-carboxamide
CID 109180224
N-(2,6-difluorophenyl)-5-(quinolin-8-ylamino)pyridine-2-carboxamide
CID 109200781
N-(5-methyl-1,2-oxazol-3-yl)-5-[4-(trifluoromethyl)anilino]pyridine-2-carboxamide
CID 109200329
5-(2,6-difluoroanilino)-N-(3-fluorophenyl)pyridine-2-carboxamide
CID 109200665
N-(2,6-difluorophenyl)-5-(2-ethoxyanilino)pyridine-2-carboxamide
CID 109200015

Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluorophenyl)-5-[4-(trifluoromethyl)anilino]pyridine-2-carboxamide?
The IUPAC name of N-(2,6-difluorophenyl)-5-[4-(trifluoromethyl)anilino]pyridine-2-carboxamide (CID 109200327) is N-(2,6-difluorophenyl)-5-[4-(trifluoromethyl)anilino]pyridine-2-carboxamide.
What is the SMILES notation for N-(2,6-difluorophenyl)-5-[4-(trifluoromethyl)anilino]pyridine-2-carboxamide?
The canonical SMILES for N-(2,6-difluorophenyl)-5-[4-(trifluoromethyl)anilino]pyridine-2-carboxamide is O=C(Nc1c(F)cccc1F)c1ccc(Nc2ccc(C(F)(F)F)cc2)cn1.
What is the InChIKey of N-(2,6-difluorophenyl)-5-[4-(trifluoromethyl)anilino]pyridine-2-carboxamide?
The InChIKey is PVPLYLXTYOFQNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F5N3O/c20-14-2-1-3-15(21)17(14)27-18(28)16-9-8-13(10-25-16)26-12-6-4-11(5-7-12)19(22,23)24/h1-10,26H,(H,27,28).
What are the key properties of N-(2,6-difluorophenyl)-5-[4-(trifluoromethyl)anilino]pyridine-2-carboxamide?
N-(2,6-difluorophenyl)-5-[4-(trifluoromethyl)anilino]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 N-(2,6-difluorophenyl)-5-[4-(trifluoromethyl)anilino]pyridine-2-carboxamide is sourced from PubChem (CID 109200327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).