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

C18H12ClF2N3O — CID 109244550

IUPAC5-(3-chloroanilino)-N-(2,4-difluorophenyl)pyridine-3-carboxamide
SMILESO=C(Nc1ccc(F)cc1F)c1cncc(Nc2cccc(Cl)c2)c1
InChIInChI=1S/C18H12ClF2N3O/c19-12-2-1-3-14(7-12)23-15-6-11(9-22-10-15)18(25)24-17-5-4-13(20)8-16(17)21/h1-10,23H,(H,24,25)
InChIKeyCNEYAIYKGVJLGE-UHFFFAOYSA-N
MW359.76 g/mol
LogP5.01
Rot. Bonds4

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

5-(3-chloroanilino)-N-(2,4-difluorophenyl)pyridine-3-carboxamide (PubChem CID 109244550) has the molecular formula C18H12ClF2N3O and a molecular weight of 359.76 g/mol. Its IUPAC name is 5-(3-chloroanilino)-N-(2,4-difluorophenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(3-chloroanilino)-N-(2,4-difluorophenyl)pyridine-3-carboxamide
PubChem CID109244550
Molecular FormulaC18H12ClF2N3O
Molecular Weight359.76 g/mol
Exact Mass359.06
IUPAC Name5-(3-chloroanilino)-N-(2,4-difluorophenyl)pyridine-3-carboxamide
SMILESO=C(Nc1ccc(F)cc1F)c1cncc(Nc2cccc(Cl)c2)c1
InChIInChI=1S/C18H12ClF2N3O/c19-12-2-1-3-14(7-12)23-15-6-11(9-22-10-15)18(25)24-17-5-4-13(20)8-16(17)21/h1-10,23H,(H,24,25)
InChIKeyCNEYAIYKGVJLGE-UHFFFAOYSA-N
XLogP5.01
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.76
LogP ≤ 55.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(3-chloroanilino)-N-(3-chlorophenyl)pyridine-3-carboxamide
CID 109244464
N-(4-chlorophenyl)-5-(2,4-difluoroanilino)pyridine-3-carboxamide
CID 109244598
N-(2,4-difluorophenyl)-5-(2,3,4-trifluoroanilino)pyridine-3-carboxamide
CID 109246256
N-(4-chloro-2-methylphenyl)-5-(4-fluoroanilino)pyridine-3-carboxamide
CID 109244302
N-(2,4-difluorophenyl)-5-(3,4-dimethoxyanilino)pyridine-3-carboxamide
CID 109245690
N-(2,4-difluorophenyl)-5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridine-3-carboxamide
CID 109246197
5-(3-chloroanilino)-N-[2-(4-fluorophenyl)ethyl]pyridine-3-carboxamide
CID 109236453
N-(2,4-difluorophenyl)-5-(2,4-dimethylanilino)pyridine-3-carboxamide
CID 109242767
5-(2,4-dichloroanilino)-N-(4-fluorophenyl)pyridine-3-carboxamide
CID 109244281
5-(3-chloroanilino)-N-[(2-fluorophenyl)methyl]pyridine-3-carboxamide
CID 109233349
N-(2,4-dimethylphenyl)-5-(3-fluoroanilino)pyridine-3-carboxamide
CID 109242702
N-(2,4-difluorophenyl)-5-(4-ethoxyanilino)pyridine-3-carboxamide
CID 109245490

Frequently Asked Questions

What is the IUPAC name of 5-(3-chloroanilino)-N-(2,4-difluorophenyl)pyridine-3-carboxamide?
The IUPAC name of 5-(3-chloroanilino)-N-(2,4-difluorophenyl)pyridine-3-carboxamide (CID 109244550) is 5-(3-chloroanilino)-N-(2,4-difluorophenyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-(3-chloroanilino)-N-(2,4-difluorophenyl)pyridine-3-carboxamide?
The canonical SMILES for 5-(3-chloroanilino)-N-(2,4-difluorophenyl)pyridine-3-carboxamide is O=C(Nc1ccc(F)cc1F)c1cncc(Nc2cccc(Cl)c2)c1.
What is the InChIKey of 5-(3-chloroanilino)-N-(2,4-difluorophenyl)pyridine-3-carboxamide?
The InChIKey is CNEYAIYKGVJLGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClF2N3O/c19-12-2-1-3-14(7-12)23-15-6-11(9-22-10-15)18(25)24-17-5-4-13(20)8-16(17)21/h1-10,23H,(H,24,25).
What are the key properties of 5-(3-chloroanilino)-N-(2,4-difluorophenyl)pyridine-3-carboxamide?
5-(3-chloroanilino)-N-(2,4-difluorophenyl)pyridine-3-carboxamide has a molecular weight of 359.76 g/mol, XLogP of 5.01, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloroanilino)-N-(2,4-difluorophenyl)pyridine-3-carboxamide is sourced from PubChem (CID 109244550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).