4-(2,4-difluoroanilino)-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide

C18H10F5N3O — CID 109222592

IUPAC4-(2,4-difluoroanilino)-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide
SMILESO=C(Nc1ccc(F)c(F)c1F)c1cc(Nc2ccc(F)cc2F)ccn1
InChIInChI=1S/C18H10F5N3O/c19-9-1-3-13(12(21)7-9)25-10-5-6-24-15(8-10)18(27)26-14-4-2-11(20)16(22)17(14)23/h1-8H,(H,24,25)(H,26,27)
InChIKeyDBEVQPXCIRTPSJ-UHFFFAOYSA-N
MW379.29 g/mol
LogP4.77
Rot. Bonds4

About 4-(2,4-difluoroanilino)-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide

4-(2,4-difluoroanilino)-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide (PubChem CID 109222592) has the molecular formula C18H10F5N3O and a molecular weight of 379.29 g/mol. Its IUPAC name is 4-(2,4-difluoroanilino)-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(2,4-difluoroanilino)-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide
PubChem CID109222592
Molecular FormulaC18H10F5N3O
Molecular Weight379.29 g/mol
Exact Mass379.07
IUPAC Name4-(2,4-difluoroanilino)-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide
SMILESO=C(Nc1ccc(F)c(F)c1F)c1cc(Nc2ccc(F)cc2F)ccn1
InChIInChI=1S/C18H10F5N3O/c19-9-1-3-13(12(21)7-9)25-10-5-6-24-15(8-10)18(27)26-14-4-2-11(20)16(22)17(14)23/h1-8H,(H,24,25)(H,26,27)
InChIKeyDBEVQPXCIRTPSJ-UHFFFAOYSA-N
XLogP4.77
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.29
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

4-(2-cyanoanilino)-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide
CID 109222708
4-(tert-butylamino)-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide
CID 109217060
4-chloro-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide
CID 30430877
4-(2,4-difluoroanilino)-N-(2,5-dimethoxyphenyl)pyridine-2-carboxamide
CID 109221968
4-(2-methoxy-5-methylanilino)-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide
CID 109221903
4-(cyclopentylamino)-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide
CID 109204356
N-butyl-4-(2,4-difluoroanilino)pyridine-2-carboxamide
CID 109202632
4-(1-phenylethylamino)-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide
CID 109210872
6-(4-fluoroanilino)-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide
CID 109357987
2-N-(4-chlorophenyl)-4-N-(2,4-difluorophenyl)pyridine-2,4-dicarboxamide
CID 109092888
4-(butan-2-ylamino)-N-(2,4-difluorophenyl)pyridine-2-carboxamide
CID 109203590
N-(2-methoxyethyl)-4-(2,3,4-trifluoroanilino)pyridine-2-carboxamide
CID 109205837

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-difluoroanilino)-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide?
The IUPAC name of 4-(2,4-difluoroanilino)-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide (CID 109222592) is 4-(2,4-difluoroanilino)-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-(2,4-difluoroanilino)-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide?
The canonical SMILES for 4-(2,4-difluoroanilino)-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide is O=C(Nc1ccc(F)c(F)c1F)c1cc(Nc2ccc(F)cc2F)ccn1.
What is the InChIKey of 4-(2,4-difluoroanilino)-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide?
The InChIKey is DBEVQPXCIRTPSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10F5N3O/c19-9-1-3-13(12(21)7-9)25-10-5-6-24-15(8-10)18(27)26-14-4-2-11(20)16(22)17(14)23/h1-8H,(H,24,25)(H,26,27).
What are the key properties of 4-(2,4-difluoroanilino)-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide?
4-(2,4-difluoroanilino)-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide has a molecular weight of 379.29 g/mol, XLogP of 4.77, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-difluoroanilino)-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide is sourced from PubChem (CID 109222592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).