N-(2,4-difluorophenyl)-5-(2,3,4-trifluoroanilino)pyridine-3-carboxamide

C18H10F5N3O — CID 109246256

IUPACN-(2,4-difluorophenyl)-5-(2,3,4-trifluoroanilino)pyridine-3-carboxamide
SMILESO=C(Nc1ccc(F)cc1F)c1cncc(Nc2ccc(F)c(F)c2F)c1
InChIInChI=1S/C18H10F5N3O/c19-10-1-3-14(13(21)6-10)26-18(27)9-5-11(8-24-7-9)25-15-4-2-12(20)16(22)17(15)23/h1-8,25H,(H,26,27)
InChIKeySRJIKJLMBCINLN-UHFFFAOYSA-N
MW379.29 g/mol
LogP4.77
Rot. Bonds4

About N-(2,4-difluorophenyl)-5-(2,3,4-trifluoroanilino)pyridine-3-carboxamide

N-(2,4-difluorophenyl)-5-(2,3,4-trifluoroanilino)pyridine-3-carboxamide (PubChem CID 109246256) has the molecular formula C18H10F5N3O and a molecular weight of 379.29 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-5-(2,3,4-trifluoroanilino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-5-(2,3,4-trifluoroanilino)pyridine-3-carboxamide
PubChem CID109246256
Molecular FormulaC18H10F5N3O
Molecular Weight379.29 g/mol
Exact Mass379.07
IUPAC NameN-(2,4-difluorophenyl)-5-(2,3,4-trifluoroanilino)pyridine-3-carboxamide
SMILESO=C(Nc1ccc(F)cc1F)c1cncc(Nc2ccc(F)c(F)c2F)c1
InChIInChI=1S/C18H10F5N3O/c19-10-1-3-14(13(21)6-10)26-18(27)9-5-11(8-24-7-9)25-15-4-2-12(20)16(22)17(15)23/h1-8,25H,(H,26,27)
InChIKeySRJIKJLMBCINLN-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

N-(4-chlorophenyl)-5-(2,4-difluoroanilino)pyridine-3-carboxamide
CID 109244598
N-(2,4-difluorophenyl)-5-(2,4-dimethylanilino)pyridine-3-carboxamide
CID 109242767
N-(2-methylphenyl)-5-(2,3,4-trifluoroanilino)pyridine-3-carboxamide
CID 109241729
5-(3-chloroanilino)-N-(2,4-difluorophenyl)pyridine-3-carboxamide
CID 109244550
5-(2,4-difluoroanilino)-N-(2,4-dimethylphenyl)pyridine-3-carboxamide
CID 109242709
5-(2-methylanilino)-N-(2,3,4-trifluorophenyl)pyridine-3-carboxamide
CID 109241821
5-(4-methylanilino)-N-(2,3,4-trifluorophenyl)pyridine-3-carboxamide
CID 109242185
5-(cyclopropylamino)-N-(2,4-difluorophenyl)pyridine-3-carboxamide
CID 109223922
N-cyclopropyl-5-(2,3,4-trifluoroanilino)pyridine-3-carboxamide
CID 109223746
N-(2,4-difluorophenyl)-5-(2-ethoxyanilino)pyridine-3-carboxamide
CID 109245433
N-(2,4-difluorophenyl)-5-(3,4-dimethoxyanilino)pyridine-3-carboxamide
CID 109245690
N-(2,4-difluorophenyl)-5-[(4-fluorophenyl)methylamino]pyridine-3-carboxamide
CID 109233767

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-5-(2,3,4-trifluoroanilino)pyridine-3-carboxamide?
The IUPAC name of N-(2,4-difluorophenyl)-5-(2,3,4-trifluoroanilino)pyridine-3-carboxamide (CID 109246256) is N-(2,4-difluorophenyl)-5-(2,3,4-trifluoroanilino)pyridine-3-carboxamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-5-(2,3,4-trifluoroanilino)pyridine-3-carboxamide?
The canonical SMILES for N-(2,4-difluorophenyl)-5-(2,3,4-trifluoroanilino)pyridine-3-carboxamide is O=C(Nc1ccc(F)cc1F)c1cncc(Nc2ccc(F)c(F)c2F)c1.
What is the InChIKey of N-(2,4-difluorophenyl)-5-(2,3,4-trifluoroanilino)pyridine-3-carboxamide?
The InChIKey is SRJIKJLMBCINLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10F5N3O/c19-10-1-3-14(13(21)6-10)26-18(27)9-5-11(8-24-7-9)25-15-4-2-12(20)16(22)17(15)23/h1-8,25H,(H,26,27).
What are the key properties of N-(2,4-difluorophenyl)-5-(2,3,4-trifluoroanilino)pyridine-3-carboxamide?
N-(2,4-difluorophenyl)-5-(2,3,4-trifluoroanilino)pyridine-3-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 N-(2,4-difluorophenyl)-5-(2,3,4-trifluoroanilino)pyridine-3-carboxamide is sourced from PubChem (CID 109246256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).