5-(2,4-difluoroanilino)-N-(3,5-dimethylphenyl)pyridine-2-carboxamide

C20H17F2N3O — CID 109198177

IUPAC5-(2,4-difluoroanilino)-N-(3,5-dimethylphenyl)pyridine-2-carboxamide
SMILESCc1cc(C)cc(NC(=O)c2ccc(Nc3ccc(F)cc3F)cn2)c1
InChIInChI=1S/C20H17F2N3O/c1-12-7-13(2)9-16(8-12)25-20(26)19-6-4-15(11-23-19)24-18-5-3-14(21)10-17(18)22/h3-11,24H,1-2H3,(H,25,26)
InChIKeyAYJYEEWRWPXVDX-UHFFFAOYSA-N
MW353.37 g/mol
LogP4.97
Rot. Bonds4

About 5-(2,4-difluoroanilino)-N-(3,5-dimethylphenyl)pyridine-2-carboxamide

5-(2,4-difluoroanilino)-N-(3,5-dimethylphenyl)pyridine-2-carboxamide (PubChem CID 109198177) has the molecular formula C20H17F2N3O and a molecular weight of 353.37 g/mol. Its IUPAC name is 5-(2,4-difluoroanilino)-N-(3,5-dimethylphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(2,4-difluoroanilino)-N-(3,5-dimethylphenyl)pyridine-2-carboxamide
PubChem CID109198177
Molecular FormulaC20H17F2N3O
Molecular Weight353.37 g/mol
Exact Mass353.13
IUPAC Name5-(2,4-difluoroanilino)-N-(3,5-dimethylphenyl)pyridine-2-carboxamide
SMILESCc1cc(C)cc(NC(=O)c2ccc(Nc3ccc(F)cc3F)cn2)c1
InChIInChI=1S/C20H17F2N3O/c1-12-7-13(2)9-16(8-12)25-20(26)19-6-4-15(11-23-19)24-18-5-3-14(21)10-17(18)22/h3-11,24H,1-2H3,(H,25,26)
InChIKeyAYJYEEWRWPXVDX-UHFFFAOYSA-N
XLogP4.97
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.37
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2,4-difluoroanilino)-N-(4-fluorophenyl)pyridine-2-carboxamide
CID 109198992
N-(2,4-difluorophenyl)-5-(2,4-dimethylanilino)pyridine-2-carboxamide
CID 109198012
N-tert-butyl-5-(2,4-difluoroanilino)pyridine-2-carboxamide
CID 109195143
N-(3-chlorophenyl)-5-(2,4-difluoroanilino)pyridine-2-carboxamide
CID 109199191
5-(2,4-difluoroanilino)-N-(2-methoxyphenyl)pyridine-2-carboxamide
CID 109199705
2-(2,4-difluoroanilino)-N-(3,5-dimethylphenyl)pyridine-4-carboxamide
CID 109176722
5-anilino-N-(2,4-difluorophenyl)pyridine-2-carboxamide
CID 109197129
5-(2,4-difluoroanilino)-N-(2,4-dimethoxyphenyl)pyridine-2-carboxamide
CID 109200219
N-(4-methylphenyl)-5-(2,3,4-trifluoroanilino)pyridine-2-carboxamide
CID 109197490
5-(2,5-dimethylanilino)-N-(4-fluorophenyl)pyridine-2-carboxamide
CID 109198055
5-(3,5-dimethylanilino)-N-phenylpyridine-2-carboxamide
CID 109196969
N-(2,4-dimethylphenyl)-5-(2-fluoroanilino)pyridine-2-carboxamide
CID 109197955

Frequently Asked Questions

What is the IUPAC name of 5-(2,4-difluoroanilino)-N-(3,5-dimethylphenyl)pyridine-2-carboxamide?
The IUPAC name of 5-(2,4-difluoroanilino)-N-(3,5-dimethylphenyl)pyridine-2-carboxamide (CID 109198177) is 5-(2,4-difluoroanilino)-N-(3,5-dimethylphenyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-(2,4-difluoroanilino)-N-(3,5-dimethylphenyl)pyridine-2-carboxamide?
The canonical SMILES for 5-(2,4-difluoroanilino)-N-(3,5-dimethylphenyl)pyridine-2-carboxamide is Cc1cc(C)cc(NC(=O)c2ccc(Nc3ccc(F)cc3F)cn2)c1.
What is the InChIKey of 5-(2,4-difluoroanilino)-N-(3,5-dimethylphenyl)pyridine-2-carboxamide?
The InChIKey is AYJYEEWRWPXVDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F2N3O/c1-12-7-13(2)9-16(8-12)25-20(26)19-6-4-15(11-23-19)24-18-5-3-14(21)10-17(18)22/h3-11,24H,1-2H3,(H,25,26).
What are the key properties of 5-(2,4-difluoroanilino)-N-(3,5-dimethylphenyl)pyridine-2-carboxamide?
5-(2,4-difluoroanilino)-N-(3,5-dimethylphenyl)pyridine-2-carboxamide has a molecular weight of 353.37 g/mol, XLogP of 4.97, 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-(3,5-dimethylphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 109198177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).