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

C20H18FN3O — CID 109242670

IUPACN-(2,4-dimethylphenyl)-5-(4-fluoroanilino)pyridine-3-carboxamide
SMILESCc1ccc(NC(=O)c2cncc(Nc3ccc(F)cc3)c2)c(C)c1
InChIInChI=1S/C20H18FN3O/c1-13-3-8-19(14(2)9-13)24-20(25)15-10-18(12-22-11-15)23-17-6-4-16(21)5-7-17/h3-12,23H,1-2H3,(H,24,25)
InChIKeyGFOIROPXNHFONQ-UHFFFAOYSA-N
MW335.38 g/mol
LogP4.83
Rot. Bonds4

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

N-(2,4-dimethylphenyl)-5-(4-fluoroanilino)pyridine-3-carboxamide (PubChem CID 109242670) has the molecular formula C20H18FN3O and a molecular weight of 335.38 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-5-(4-fluoroanilino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-5-(4-fluoroanilino)pyridine-3-carboxamide
PubChem CID109242670
Molecular FormulaC20H18FN3O
Molecular Weight335.38 g/mol
Exact Mass335.14
IUPAC NameN-(2,4-dimethylphenyl)-5-(4-fluoroanilino)pyridine-3-carboxamide
SMILESCc1ccc(NC(=O)c2cncc(Nc3ccc(F)cc3)c2)c(C)c1
InChIInChI=1S/C20H18FN3O/c1-13-3-8-19(14(2)9-13)24-20(25)15-10-18(12-22-11-15)23-17-6-4-16(21)5-7-17/h3-12,23H,1-2H3,(H,24,25)
InChIKeyGFOIROPXNHFONQ-UHFFFAOYSA-N
XLogP4.83
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.38
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2,4-difluoroanilino)-N-(2,4-dimethylphenyl)pyridine-3-carboxamide
CID 109242709
N-(4-chloro-2-methylphenyl)-5-(4-fluoroanilino)pyridine-3-carboxamide
CID 109244302
N-(2,4-dimethylphenyl)-5-(3-fluoroanilino)pyridine-3-carboxamide
CID 109242702
N-(2,4-difluorophenyl)-5-(2,4-dimethylanilino)pyridine-3-carboxamide
CID 109242767
5-(3-chloro-4-fluoroanilino)-N-(2,4-dimethylphenyl)pyridine-3-carboxamide
CID 109242674
5-[4-(diethylamino)anilino]-N-(2,4-dimethylphenyl)pyridine-3-carboxamide
CID 109242700
5-(4-methylanilino)-N-(2,3,4-trifluorophenyl)pyridine-3-carboxamide
CID 109242185
5-N-(2,4-dimethylphenyl)-3-N-(4-methylphenyl)pyridine-3,5-dicarboxamide
CID 109107985
N-(2,6-dimethylphenyl)-5-(4-fluoroanilino)pyridine-3-carboxamide
CID 109243122
5-(4-acetamidoanilino)-N-(2,5-dimethylphenyl)pyridine-3-carboxamide
CID 109242811
4-N-(2,4-dimethylphenyl)-1-N-(4-fluorophenyl)benzene-1,4-dicarboxamide
CID 109049592
5-(tert-butylamino)-N-(2,4-dimethylphenyl)pyridine-3-carboxamide
CID 109239395

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-5-(4-fluoroanilino)pyridine-3-carboxamide?
The IUPAC name of N-(2,4-dimethylphenyl)-5-(4-fluoroanilino)pyridine-3-carboxamide (CID 109242670) is N-(2,4-dimethylphenyl)-5-(4-fluoroanilino)pyridine-3-carboxamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-5-(4-fluoroanilino)pyridine-3-carboxamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-5-(4-fluoroanilino)pyridine-3-carboxamide is Cc1ccc(NC(=O)c2cncc(Nc3ccc(F)cc3)c2)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-5-(4-fluoroanilino)pyridine-3-carboxamide?
The InChIKey is GFOIROPXNHFONQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O/c1-13-3-8-19(14(2)9-13)24-20(25)15-10-18(12-22-11-15)23-17-6-4-16(21)5-7-17/h3-12,23H,1-2H3,(H,24,25).
What are the key properties of N-(2,4-dimethylphenyl)-5-(4-fluoroanilino)pyridine-3-carboxamide?
N-(2,4-dimethylphenyl)-5-(4-fluoroanilino)pyridine-3-carboxamide has a molecular weight of 335.38 g/mol, XLogP of 4.83, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-5-(4-fluoroanilino)pyridine-3-carboxamide is sourced from PubChem (CID 109242670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).