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

C20H17F2N3O — CID 109242709

IUPAC5-(2,4-difluoroanilino)-N-(2,4-dimethylphenyl)pyridine-3-carboxamide
SMILESCc1ccc(NC(=O)c2cncc(Nc3ccc(F)cc3F)c2)c(C)c1
InChIInChI=1S/C20H17F2N3O/c1-12-3-5-18(13(2)7-12)25-20(26)14-8-16(11-23-10-14)24-19-6-4-15(21)9-17(19)22/h3-11,24H,1-2H3,(H,25,26)
InChIKeyKPBQFAORMWKPNP-UHFFFAOYSA-N
MW353.37 g/mol
LogP4.97
Rot. Bonds4

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

5-(2,4-difluoroanilino)-N-(2,4-dimethylphenyl)pyridine-3-carboxamide (PubChem CID 109242709) has the molecular formula C20H17F2N3O and a molecular weight of 353.37 g/mol. Its IUPAC name is 5-(2,4-difluoroanilino)-N-(2,4-dimethylphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(2,4-difluoroanilino)-N-(2,4-dimethylphenyl)pyridine-3-carboxamide
PubChem CID109242709
Molecular FormulaC20H17F2N3O
Molecular Weight353.37 g/mol
Exact Mass353.13
IUPAC Name5-(2,4-difluoroanilino)-N-(2,4-dimethylphenyl)pyridine-3-carboxamide
SMILESCc1ccc(NC(=O)c2cncc(Nc3ccc(F)cc3F)c2)c(C)c1
InChIInChI=1S/C20H17F2N3O/c1-12-3-5-18(13(2)7-12)25-20(26)14-8-16(11-23-10-14)24-19-6-4-15(21)9-17(19)22/h3-11,24H,1-2H3,(H,25,26)
InChIKeyKPBQFAORMWKPNP-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

N-(2,4-difluorophenyl)-5-(2,4-dimethylanilino)pyridine-3-carboxamide
CID 109242767
N-(2,4-dimethylphenyl)-5-(4-fluoroanilino)pyridine-3-carboxamide
CID 109242670
N-(2,4-dimethylphenyl)-5-(3-fluoroanilino)pyridine-3-carboxamide
CID 109242702
5-(3-chloro-4-fluoroanilino)-N-(2,4-dimethylphenyl)pyridine-3-carboxamide
CID 109242674
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
5-(2-cyanoanilino)-N-(2,4-dimethylphenyl)pyridine-3-carboxamide
CID 109242712
ethyl 2-[[5-(2,4-difluoroanilino)pyridine-3-carbonyl]amino]benzoate
CID 109246267
5-(tert-butylamino)-N-(2,4-dimethylphenyl)pyridine-3-carboxamide
CID 109239395
methyl 2-[[5-[(2,4-dimethylphenyl)carbamoyl]-3-pyridinyl]amino]benzoate
CID 109242696
N-(2,4-difluorophenyl)-5-(2,4-dimethylanilino)pyridine-2-carboxamide
CID 109198012

Frequently Asked Questions

What is the IUPAC name of 5-(2,4-difluoroanilino)-N-(2,4-dimethylphenyl)pyridine-3-carboxamide?
The IUPAC name of 5-(2,4-difluoroanilino)-N-(2,4-dimethylphenyl)pyridine-3-carboxamide (CID 109242709) is 5-(2,4-difluoroanilino)-N-(2,4-dimethylphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-(2,4-difluoroanilino)-N-(2,4-dimethylphenyl)pyridine-3-carboxamide?
The canonical SMILES for 5-(2,4-difluoroanilino)-N-(2,4-dimethylphenyl)pyridine-3-carboxamide is Cc1ccc(NC(=O)c2cncc(Nc3ccc(F)cc3F)c2)c(C)c1.
What is the InChIKey of 5-(2,4-difluoroanilino)-N-(2,4-dimethylphenyl)pyridine-3-carboxamide?
The InChIKey is KPBQFAORMWKPNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F2N3O/c1-12-3-5-18(13(2)7-12)25-20(26)14-8-16(11-23-10-14)24-19-6-4-15(21)9-17(19)22/h3-11,24H,1-2H3,(H,25,26).
What are the key properties of 5-(2,4-difluoroanilino)-N-(2,4-dimethylphenyl)pyridine-3-carboxamide?
5-(2,4-difluoroanilino)-N-(2,4-dimethylphenyl)pyridine-3-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-(2,4-dimethylphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 109242709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).