5-(2,4-difluoroanilino)-N-(4-fluorophenyl)pyridine-2-carboxamide

C18H12F3N3O — CID 109198992

IUPAC5-(2,4-difluoroanilino)-N-(4-fluorophenyl)pyridine-2-carboxamide
SMILESO=C(Nc1ccc(F)cc1)c1ccc(Nc2ccc(F)cc2F)cn1
InChIInChI=1S/C18H12F3N3O/c19-11-1-4-13(5-2-11)24-18(25)17-8-6-14(10-22-17)23-16-7-3-12(20)9-15(16)21/h1-10,23H,(H,24,25)
InChIKeyPXKPSIRPOZJJAK-UHFFFAOYSA-N
MW343.31 g/mol
LogP4.49
Rot. Bonds4

About 5-(2,4-difluoroanilino)-N-(4-fluorophenyl)pyridine-2-carboxamide

5-(2,4-difluoroanilino)-N-(4-fluorophenyl)pyridine-2-carboxamide (PubChem CID 109198992) has the molecular formula C18H12F3N3O and a molecular weight of 343.31 g/mol. Its IUPAC name is 5-(2,4-difluoroanilino)-N-(4-fluorophenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(2,4-difluoroanilino)-N-(4-fluorophenyl)pyridine-2-carboxamide
PubChem CID109198992
Molecular FormulaC18H12F3N3O
Molecular Weight343.31 g/mol
Exact Mass343.09
IUPAC Name5-(2,4-difluoroanilino)-N-(4-fluorophenyl)pyridine-2-carboxamide
SMILESO=C(Nc1ccc(F)cc1)c1ccc(Nc2ccc(F)cc2F)cn1
InChIInChI=1S/C18H12F3N3O/c19-11-1-4-13(5-2-11)24-18(25)17-8-6-14(10-22-17)23-16-7-3-12(20)9-15(16)21/h1-10,23H,(H,24,25)
InChIKeyPXKPSIRPOZJJAK-UHFFFAOYSA-N
XLogP4.49
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.31
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2,4-difluoroanilino)-N-(3,5-dimethylphenyl)pyridine-2-carboxamide
CID 109198177
N-(3-chlorophenyl)-5-(2,4-difluoroanilino)pyridine-2-carboxamide
CID 109199191
6-(2,4-difluoroanilino)-N-(4-fluorophenyl)pyridazine-3-carboxamide
CID 109128560
N-tert-butyl-5-(2,4-difluoroanilino)pyridine-2-carboxamide
CID 109195143
5-anilino-N-(2,4-difluorophenyl)pyridine-2-carboxamide
CID 109197129
5-(2,4-difluoroanilino)-N-(2-methoxyphenyl)pyridine-2-carboxamide
CID 109199705
6-(2,4-difluoroanilino)-N-(4-fluorophenyl)pyrimidine-4-carboxamide
CID 109358027
N-(2,4-difluorophenyl)-5-(2,4-dimethylanilino)pyridine-2-carboxamide
CID 109198012
5-(2,4-difluoroanilino)-N-(2,4-dimethoxyphenyl)pyridine-2-carboxamide
CID 109200219
N-(2,4-difluorophenyl)-5-[2-(trifluoromethyl)anilino]pyridine-2-carboxamide
CID 109200283
5-(2,5-dimethylanilino)-N-(4-fluorophenyl)pyridine-2-carboxamide
CID 109198055
N-[2-(4-chlorophenyl)ethyl]-5-(2,4-difluoroanilino)pyridine-2-carboxamide
CID 109193674

Frequently Asked Questions

What is the IUPAC name of 5-(2,4-difluoroanilino)-N-(4-fluorophenyl)pyridine-2-carboxamide?
The IUPAC name of 5-(2,4-difluoroanilino)-N-(4-fluorophenyl)pyridine-2-carboxamide (CID 109198992) is 5-(2,4-difluoroanilino)-N-(4-fluorophenyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-(2,4-difluoroanilino)-N-(4-fluorophenyl)pyridine-2-carboxamide?
The canonical SMILES for 5-(2,4-difluoroanilino)-N-(4-fluorophenyl)pyridine-2-carboxamide is O=C(Nc1ccc(F)cc1)c1ccc(Nc2ccc(F)cc2F)cn1.
What is the InChIKey of 5-(2,4-difluoroanilino)-N-(4-fluorophenyl)pyridine-2-carboxamide?
The InChIKey is PXKPSIRPOZJJAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F3N3O/c19-11-1-4-13(5-2-11)24-18(25)17-8-6-14(10-22-17)23-16-7-3-12(20)9-15(16)21/h1-10,23H,(H,24,25).
What are the key properties of 5-(2,4-difluoroanilino)-N-(4-fluorophenyl)pyridine-2-carboxamide?
5-(2,4-difluoroanilino)-N-(4-fluorophenyl)pyridine-2-carboxamide has a molecular weight of 343.31 g/mol, XLogP of 4.49, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-difluoroanilino)-N-(4-fluorophenyl)pyridine-2-carboxamide is sourced from PubChem (CID 109198992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).