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

C20H17F2N3O — CID 109242833

IUPAC5-(3,4-difluoroanilino)-N-(2,5-dimethylphenyl)pyridine-3-carboxamide
SMILESCc1ccc(C)c(NC(=O)c2cncc(Nc3ccc(F)c(F)c3)c2)c1
InChIInChI=1S/C20H17F2N3O/c1-12-3-4-13(2)19(7-12)25-20(26)14-8-16(11-23-10-14)24-15-5-6-17(21)18(22)9-15/h3-11,24H,1-2H3,(H,25,26)
InChIKeyNSPKFBSLFDOCEC-UHFFFAOYSA-N
MW353.37 g/mol
LogP4.97
Rot. Bonds4

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

5-(3,4-difluoroanilino)-N-(2,5-dimethylphenyl)pyridine-3-carboxamide (PubChem CID 109242833) has the molecular formula C20H17F2N3O and a molecular weight of 353.37 g/mol. Its IUPAC name is 5-(3,4-difluoroanilino)-N-(2,5-dimethylphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(3,4-difluoroanilino)-N-(2,5-dimethylphenyl)pyridine-3-carboxamide
PubChem CID109242833
Molecular FormulaC20H17F2N3O
Molecular Weight353.37 g/mol
Exact Mass353.13
IUPAC Name5-(3,4-difluoroanilino)-N-(2,5-dimethylphenyl)pyridine-3-carboxamide
SMILESCc1ccc(C)c(NC(=O)c2cncc(Nc3ccc(F)c(F)c3)c2)c1
InChIInChI=1S/C20H17F2N3O/c1-12-3-4-13(2)19(7-12)25-20(26)14-8-16(11-23-10-14)24-15-5-6-17(21)18(22)9-15/h3-11,24H,1-2H3,(H,25,26)
InChIKeyNSPKFBSLFDOCEC-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(4-acetamidoanilino)-N-(2,5-dimethylphenyl)pyridine-3-carboxamide
CID 109242811
5-(5-chloro-2-methylanilino)-N-(3,4-difluorophenyl)pyridine-3-carboxamide
CID 109244782
5-(3-chloro-4-fluoroanilino)-N-(2,4-dimethylphenyl)pyridine-3-carboxamide
CID 109242674
5-(2,5-dimethylanilino)-N-(4-methylphenyl)pyridine-3-carboxamide
CID 109242013
5-[4-(diethylamino)anilino]-N-(2,5-dimethylphenyl)pyridine-3-carboxamide
CID 109242816
5-(4-methylanilino)-N-(2,3,4-trifluorophenyl)pyridine-3-carboxamide
CID 109242185
N-(2,4-dimethylphenyl)-5-(4-fluoroanilino)pyridine-3-carboxamide
CID 109242670
N-(4-acetamidophenyl)-5-(2,5-dimethylanilino)pyridine-3-carboxamide
CID 109242868
5-(3,4-difluoroanilino)-N-(2-propan-2-ylphenyl)pyridine-3-carboxamide
CID 109243776
5-(tert-butylamino)-N-(2,5-dimethylphenyl)pyridine-3-carboxamide
CID 109239396
N-(2,4-dimethylphenyl)-5-(3-fluoroanilino)pyridine-3-carboxamide
CID 109242702
N-(2,5-dimethylphenyl)-5-(2-ethylanilino)pyridine-3-carboxamide
CID 109242782

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-difluoroanilino)-N-(2,5-dimethylphenyl)pyridine-3-carboxamide?
The IUPAC name of 5-(3,4-difluoroanilino)-N-(2,5-dimethylphenyl)pyridine-3-carboxamide (CID 109242833) is 5-(3,4-difluoroanilino)-N-(2,5-dimethylphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-(3,4-difluoroanilino)-N-(2,5-dimethylphenyl)pyridine-3-carboxamide?
The canonical SMILES for 5-(3,4-difluoroanilino)-N-(2,5-dimethylphenyl)pyridine-3-carboxamide is Cc1ccc(C)c(NC(=O)c2cncc(Nc3ccc(F)c(F)c3)c2)c1.
What is the InChIKey of 5-(3,4-difluoroanilino)-N-(2,5-dimethylphenyl)pyridine-3-carboxamide?
The InChIKey is NSPKFBSLFDOCEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F2N3O/c1-12-3-4-13(2)19(7-12)25-20(26)14-8-16(11-23-10-14)24-15-5-6-17(21)18(22)9-15/h3-11,24H,1-2H3,(H,25,26).
What are the key properties of 5-(3,4-difluoroanilino)-N-(2,5-dimethylphenyl)pyridine-3-carboxamide?
5-(3,4-difluoroanilino)-N-(2,5-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-(3,4-difluoroanilino)-N-(2,5-dimethylphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 109242833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).