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

C20H18FN3O — CID 109198040

IUPACN-(2,5-dimethylphenyl)-5-(3-fluoroanilino)pyridine-2-carboxamide
SMILESCc1ccc(C)c(NC(=O)c2ccc(Nc3cccc(F)c3)cn2)c1
InChIInChI=1S/C20H18FN3O/c1-13-6-7-14(2)19(10-13)24-20(25)18-9-8-17(12-22-18)23-16-5-3-4-15(21)11-16/h3-12,23H,1-2H3,(H,24,25)
InChIKeyBVJSAQBHLMVWRC-UHFFFAOYSA-N
MW335.38 g/mol
LogP4.83
Rot. Bonds4

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

N-(2,5-dimethylphenyl)-5-(3-fluoroanilino)pyridine-2-carboxamide (PubChem CID 109198040) has the molecular formula C20H18FN3O and a molecular weight of 335.38 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-5-(3-fluoroanilino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-5-(3-fluoroanilino)pyridine-2-carboxamide
PubChem CID109198040
Molecular FormulaC20H18FN3O
Molecular Weight335.38 g/mol
Exact Mass335.14
IUPAC NameN-(2,5-dimethylphenyl)-5-(3-fluoroanilino)pyridine-2-carboxamide
SMILESCc1ccc(C)c(NC(=O)c2ccc(Nc3cccc(F)c3)cn2)c1
InChIInChI=1S/C20H18FN3O/c1-13-6-7-14(2)19(10-13)24-20(25)18-9-8-17(12-22-18)23-16-5-3-4-15(21)11-16/h3-12,23H,1-2H3,(H,24,25)
InChIKeyBVJSAQBHLMVWRC-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

N-(2,5-dimethylphenyl)-6-(3-fluoroanilino)pyrimidine-4-carboxamide
CID 109356901
5-(2,5-dimethylanilino)-N-(4-fluorophenyl)pyridine-2-carboxamide
CID 109198055
5-(2,5-dimethylanilino)-N-(2-methylphenyl)pyridine-2-carboxamide
CID 109197157
N-(2,5-dimethylphenyl)-5-(methylamino)pyridine-2-carboxamide
CID 104639933
5-anilino-N-(2,4-dimethylphenyl)pyridine-2-carboxamide
CID 109197061
N-(2,5-dimethylphenyl)-5-(ethylamino)pyridine-2-carboxamide
CID 104639934
5-(4-fluoroanilino)-N-(2-methylphenyl)pyridine-2-carboxamide
CID 109197166
5-(3-fluoroanilino)-N-(3-methoxyphenyl)pyridine-2-carboxamide
CID 109199794
N-(2,4-difluorophenyl)-5-(2,4-dimethylanilino)pyridine-2-carboxamide
CID 109198012
N-(2,5-dimethylphenyl)-5-(2-phenylethylamino)pyridine-2-carboxamide
CID 109191889
N-(2,5-dimethylphenyl)-5-[(5-methyl-1,2-oxazol-3-yl)amino]pyridine-2-carboxamide
CID 109198052
5-(tert-butylamino)-N-(2,5-dimethylphenyl)pyridine-2-carboxamide
CID 109195188

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-5-(3-fluoroanilino)pyridine-2-carboxamide?
The IUPAC name of N-(2,5-dimethylphenyl)-5-(3-fluoroanilino)pyridine-2-carboxamide (CID 109198040) is N-(2,5-dimethylphenyl)-5-(3-fluoroanilino)pyridine-2-carboxamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-5-(3-fluoroanilino)pyridine-2-carboxamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-5-(3-fluoroanilino)pyridine-2-carboxamide is Cc1ccc(C)c(NC(=O)c2ccc(Nc3cccc(F)c3)cn2)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)-5-(3-fluoroanilino)pyridine-2-carboxamide?
The InChIKey is BVJSAQBHLMVWRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O/c1-13-6-7-14(2)19(10-13)24-20(25)18-9-8-17(12-22-18)23-16-5-3-4-15(21)11-16/h3-12,23H,1-2H3,(H,24,25).
What are the key properties of N-(2,5-dimethylphenyl)-5-(3-fluoroanilino)pyridine-2-carboxamide?
N-(2,5-dimethylphenyl)-5-(3-fluoroanilino)pyridine-2-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-(2,5-dimethylphenyl)-5-(3-fluoroanilino)pyridine-2-carboxamide is sourced from PubChem (CID 109198040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).