5-(3-fluoroanilino)-N-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide

C19H13F4N3O — CID 109200292

IUPAC5-(3-fluoroanilino)-N-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)c1ccc(Nc2cccc(F)c2)cn1
InChIInChI=1S/C19H13F4N3O/c20-13-4-2-6-15(10-13)25-16-7-8-17(24-11-16)18(27)26-14-5-1-3-12(9-14)19(21,22)23/h1-11,25H,(H,26,27)
InChIKeySCUIETINQBVHFG-UHFFFAOYSA-N
MW375.33 g/mol
LogP5.24
Rot. Bonds4

About 5-(3-fluoroanilino)-N-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide

5-(3-fluoroanilino)-N-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide (PubChem CID 109200292) has the molecular formula C19H13F4N3O and a molecular weight of 375.33 g/mol. Its IUPAC name is 5-(3-fluoroanilino)-N-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(3-fluoroanilino)-N-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide
PubChem CID109200292
Molecular FormulaC19H13F4N3O
Molecular Weight375.33 g/mol
Exact Mass375.10
IUPAC Name5-(3-fluoroanilino)-N-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)c1ccc(Nc2cccc(F)c2)cn1
InChIInChI=1S/C19H13F4N3O/c20-13-4-2-6-15(10-13)25-16-7-8-17(24-11-16)18(27)26-14-5-1-3-12(9-14)19(21,22)23/h1-11,25H,(H,26,27)
InChIKeySCUIETINQBVHFG-UHFFFAOYSA-N
XLogP5.24
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.33
LogP ≤ 55.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-(3-fluoroanilino)-N-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 109129760
5-(3-fluoroanilino)-N-(3-methoxyphenyl)pyridine-2-carboxamide
CID 109199794
5-(2,6-difluoroanilino)-N-(3-fluorophenyl)pyridine-2-carboxamide
CID 109200665
N-(3-methylphenyl)-5-[4-(trifluoromethyl)anilino]pyridine-2-carboxamide
CID 109197325
N-(4-fluorophenyl)-6-[3-(trifluoromethyl)anilino]pyridazine-3-carboxamide
CID 109128539
N-(4-fluorophenyl)-2-[3-(trifluoromethyl)anilino]pyrimidine-5-carboxamide
CID 109268482
N-(3-fluorophenyl)-5-(propylamino)pyridine-2-carboxamide
CID 109179399
N-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]acetamide
CID 113034847
5-anilino-N-[3-(trifluoromethyl)phenyl]pyrazine-2-carboxamide
CID 109289576
2-(4-fluorophenyl)-N-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]acetamide
CID 113034872
N-(2,5-dimethylphenyl)-5-(3-fluoroanilino)pyridine-2-carboxamide
CID 109198040
piperidin-1-yl-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methanone
CID 109182660

Frequently Asked Questions

What is the IUPAC name of 5-(3-fluoroanilino)-N-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide?
The IUPAC name of 5-(3-fluoroanilino)-N-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide (CID 109200292) is 5-(3-fluoroanilino)-N-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-(3-fluoroanilino)-N-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide?
The canonical SMILES for 5-(3-fluoroanilino)-N-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide is O=C(Nc1cccc(C(F)(F)F)c1)c1ccc(Nc2cccc(F)c2)cn1.
What is the InChIKey of 5-(3-fluoroanilino)-N-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide?
The InChIKey is SCUIETINQBVHFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F4N3O/c20-13-4-2-6-15(10-13)25-16-7-8-17(24-11-16)18(27)26-14-5-1-3-12(9-14)19(21,22)23/h1-11,25H,(H,26,27).
What are the key properties of 5-(3-fluoroanilino)-N-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide?
5-(3-fluoroanilino)-N-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide has a molecular weight of 375.33 g/mol, XLogP of 5.24, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluoroanilino)-N-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 109200292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).