5-(2,4-dichloroanilino)-N-(4-fluorophenyl)pyridine-3-carboxamide

C18H12Cl2FN3O — CID 109244281

IUPAC5-(2,4-dichloroanilino)-N-(4-fluorophenyl)pyridine-3-carboxamide
SMILESO=C(Nc1ccc(F)cc1)c1cncc(Nc2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C18H12Cl2FN3O/c19-12-1-6-17(16(20)8-12)23-15-7-11(9-22-10-15)18(25)24-14-4-2-13(21)3-5-14/h1-10,23H,(H,24,25)
InChIKeyHOFYLHCHXFDFDI-UHFFFAOYSA-N
MW376.22 g/mol
LogP5.52
Rot. Bonds4

About 5-(2,4-dichloroanilino)-N-(4-fluorophenyl)pyridine-3-carboxamide

5-(2,4-dichloroanilino)-N-(4-fluorophenyl)pyridine-3-carboxamide (PubChem CID 109244281) has the molecular formula C18H12Cl2FN3O and a molecular weight of 376.22 g/mol. Its IUPAC name is 5-(2,4-dichloroanilino)-N-(4-fluorophenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(2,4-dichloroanilino)-N-(4-fluorophenyl)pyridine-3-carboxamide
PubChem CID109244281
Molecular FormulaC18H12Cl2FN3O
Molecular Weight376.22 g/mol
Exact Mass375.03
IUPAC Name5-(2,4-dichloroanilino)-N-(4-fluorophenyl)pyridine-3-carboxamide
SMILESO=C(Nc1ccc(F)cc1)c1cncc(Nc2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C18H12Cl2FN3O/c19-12-1-6-17(16(20)8-12)23-15-7-11(9-22-10-15)18(25)24-14-4-2-13(21)3-5-14/h1-10,23H,(H,24,25)
InChIKeyHOFYLHCHXFDFDI-UHFFFAOYSA-N
XLogP5.52
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.22
LogP ≤ 55.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chlorophenyl)-5-(2,4-difluoroanilino)pyridine-3-carboxamide
CID 109244598
N-(4-chloro-2-methylphenyl)-5-(4-fluoroanilino)pyridine-3-carboxamide
CID 109244302
N-(3,5-dichlorophenyl)-5-(4-fluoroanilino)pyridine-3-carboxamide
CID 109244351
N-(3-cyanophenyl)-5-(2,4-dichloroanilino)pyridine-3-carboxamide
CID 109246320
5-(5-chloro-2-methylanilino)-N-(4-chlorophenyl)pyridine-3-carboxamide
CID 109244563
5-(2,4-dichloroanilino)-N-propylpyridine-3-carboxamide
CID 109222941
5-(5-chloro-2-methylanilino)-N-(3,4-difluorophenyl)pyridine-3-carboxamide
CID 109244782
N-(4-chlorophenyl)-5-[(4-fluorophenyl)methylamino]pyridine-3-carboxamide
CID 109233729
5-(3-chloroanilino)-N-(2,4-difluorophenyl)pyridine-3-carboxamide
CID 109244550
N-(2,4-dichlorophenyl)-5-(4-methoxyanilino)pyridine-3-carboxamide
CID 109245369
N-(2,4-dichlorophenyl)-5-(propan-2-ylamino)pyridine-3-carboxamide
CID 109223536
N-(2,3-dichlorophenyl)-5-(4-fluoroanilino)pyridine-3-carboxamide
CID 109244353

Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dichloroanilino)-N-(4-fluorophenyl)pyridine-3-carboxamide?
The IUPAC name of 5-(2,4-dichloroanilino)-N-(4-fluorophenyl)pyridine-3-carboxamide (CID 109244281) is 5-(2,4-dichloroanilino)-N-(4-fluorophenyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-(2,4-dichloroanilino)-N-(4-fluorophenyl)pyridine-3-carboxamide?
The canonical SMILES for 5-(2,4-dichloroanilino)-N-(4-fluorophenyl)pyridine-3-carboxamide is O=C(Nc1ccc(F)cc1)c1cncc(Nc2ccc(Cl)cc2Cl)c1.
What is the InChIKey of 5-(2,4-dichloroanilino)-N-(4-fluorophenyl)pyridine-3-carboxamide?
The InChIKey is HOFYLHCHXFDFDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12Cl2FN3O/c19-12-1-6-17(16(20)8-12)23-15-7-11(9-22-10-15)18(25)24-14-4-2-13(21)3-5-14/h1-10,23H,(H,24,25).
What are the key properties of 5-(2,4-dichloroanilino)-N-(4-fluorophenyl)pyridine-3-carboxamide?
5-(2,4-dichloroanilino)-N-(4-fluorophenyl)pyridine-3-carboxamide has a molecular weight of 376.22 g/mol, XLogP of 5.52, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dichloroanilino)-N-(4-fluorophenyl)pyridine-3-carboxamide is sourced from PubChem (CID 109244281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).