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

C20H17F2N3O — CID 109176722

IUPAC2-(2,4-difluoroanilino)-N-(3,5-dimethylphenyl)pyridine-4-carboxamide
SMILESCc1cc(C)cc(NC(=O)c2ccnc(Nc3ccc(F)cc3F)c2)c1
InChIInChI=1S/C20H17F2N3O/c1-12-7-13(2)9-16(8-12)24-20(26)14-5-6-23-19(10-14)25-18-4-3-15(21)11-17(18)22/h3-11H,1-2H3,(H,23,25)(H,24,26)
InChIKeySPGFDMSAXDJBCT-UHFFFAOYSA-N
MW353.37 g/mol
LogP4.97
Rot. Bonds4

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

2-(2,4-difluoroanilino)-N-(3,5-dimethylphenyl)pyridine-4-carboxamide (PubChem CID 109176722) has the molecular formula C20H17F2N3O and a molecular weight of 353.37 g/mol. Its IUPAC name is 2-(2,4-difluoroanilino)-N-(3,5-dimethylphenyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(2,4-difluoroanilino)-N-(3,5-dimethylphenyl)pyridine-4-carboxamide
PubChem CID109176722
Molecular FormulaC20H17F2N3O
Molecular Weight353.37 g/mol
Exact Mass353.13
IUPAC Name2-(2,4-difluoroanilino)-N-(3,5-dimethylphenyl)pyridine-4-carboxamide
SMILESCc1cc(C)cc(NC(=O)c2ccnc(Nc3ccc(F)cc3F)c2)c1
InChIInChI=1S/C20H17F2N3O/c1-12-7-13(2)9-16(8-12)24-20(26)14-5-6-23-19(10-14)25-18-4-3-15(21)11-17(18)22/h3-11H,1-2H3,(H,23,25)(H,24,26)
InChIKeySPGFDMSAXDJBCT-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

2-(2,4-difluoroanilino)-N-(4-ethylphenyl)pyridine-4-carboxamide
CID 109176898
N-(3-chloro-4-fluorophenyl)-2-(2,4-difluoroanilino)pyridine-4-carboxamide
CID 109177743
5-(2,4-difluoroanilino)-N-(3,5-dimethylphenyl)pyridine-2-carboxamide
CID 109198177
N-(3,5-dimethylphenyl)-2-(methylamino)pyridine-4-carboxamide
CID 62167632
2-(2,4-difluoroanilino)-N-(2,4-dimethoxyphenyl)pyridine-4-carboxamide
CID 109178357
N-(2-cyanophenyl)-2-(2,4-difluoroanilino)pyridine-4-carboxamide
CID 109178899
2-(2,4-difluoroanilino)-N-[(3-methylphenyl)methyl]pyridine-4-carboxamide
CID 109169816
N-(3,4-difluorophenyl)-2-(2,4-dimethylanilino)pyridine-4-carboxamide
CID 109176615
N-(2,4-difluorophenyl)-2-(3,4-dimethoxyanilino)pyridine-4-carboxamide
CID 109178399
2-(3-acetamidoanilino)-N-(3,5-dimethylphenyl)pyridine-4-carboxamide
CID 109176712
2-(3-chloro-4-methoxyanilino)-N-(2,4-difluorophenyl)pyridine-4-carboxamide
CID 109177809
6-(2,4-difluoroanilino)-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 109356328

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluoroanilino)-N-(3,5-dimethylphenyl)pyridine-4-carboxamide?
The IUPAC name of 2-(2,4-difluoroanilino)-N-(3,5-dimethylphenyl)pyridine-4-carboxamide (CID 109176722) is 2-(2,4-difluoroanilino)-N-(3,5-dimethylphenyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-(2,4-difluoroanilino)-N-(3,5-dimethylphenyl)pyridine-4-carboxamide?
The canonical SMILES for 2-(2,4-difluoroanilino)-N-(3,5-dimethylphenyl)pyridine-4-carboxamide is Cc1cc(C)cc(NC(=O)c2ccnc(Nc3ccc(F)cc3F)c2)c1.
What is the InChIKey of 2-(2,4-difluoroanilino)-N-(3,5-dimethylphenyl)pyridine-4-carboxamide?
The InChIKey is SPGFDMSAXDJBCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F2N3O/c1-12-7-13(2)9-16(8-12)24-20(26)14-5-6-23-19(10-14)25-18-4-3-15(21)11-17(18)22/h3-11H,1-2H3,(H,23,25)(H,24,26).
What are the key properties of 2-(2,4-difluoroanilino)-N-(3,5-dimethylphenyl)pyridine-4-carboxamide?
2-(2,4-difluoroanilino)-N-(3,5-dimethylphenyl)pyridine-4-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 2-(2,4-difluoroanilino)-N-(3,5-dimethylphenyl)pyridine-4-carboxamide is sourced from PubChem (CID 109176722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).