5-(3-fluoro-4-methylphenyl)-4-methyl-2-(methylamino)pyridine-3-carboxamide

C15H16FN3O — CID 176694640

IUPAC5-(3-fluoro-4-methylphenyl)-4-methyl-2-(methylamino)pyridine-3-carboxamide
SMILESCNc1ncc(-c2ccc(C)c(F)c2)c(C)c1C(N)=O
InChIInChI=1S/C15H16FN3O/c1-8-4-5-10(6-12(8)16)11-7-19-15(18-3)13(9(11)2)14(17)20/h4-7H,1-3H3,(H2,17,20)(H,18,19)
InChIKeyUBTXLFFQEOXIJN-UHFFFAOYSA-N
MW273.31 g/mol
LogP2.65
Rot. Bonds3

About 5-(3-fluoro-4-methylphenyl)-4-methyl-2-(methylamino)pyridine-3-carboxamide

5-(3-fluoro-4-methylphenyl)-4-methyl-2-(methylamino)pyridine-3-carboxamide (PubChem CID 176694640) has the molecular formula C15H16FN3O and a molecular weight of 273.31 g/mol. Its IUPAC name is 5-(3-fluoro-4-methylphenyl)-4-methyl-2-(methylamino)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(3-fluoro-4-methylphenyl)-4-methyl-2-(methylamino)pyridine-3-carboxamide
PubChem CID176694640
Molecular FormulaC15H16FN3O
Molecular Weight273.31 g/mol
Exact Mass273.13
IUPAC Name5-(3-fluoro-4-methylphenyl)-4-methyl-2-(methylamino)pyridine-3-carboxamide
SMILESCNc1ncc(-c2ccc(C)c(F)c2)c(C)c1C(N)=O
InChIInChI=1S/C15H16FN3O/c1-8-4-5-10(6-12(8)16)11-7-19-15(18-3)13(9(11)2)14(17)20/h4-7H,1-3H3,(H2,17,20)(H,18,19)
InChIKeyUBTXLFFQEOXIJN-UHFFFAOYSA-N
XLogP2.65
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-methyl-2-(methylamino)-5-(3-methylphenyl)-3-pyridinyl]ethanone
CID 169124145
2-amino-5-(3-fluoro-4-methylphenyl)pyridine-4-carboxylic acid
CID 53222855
4-fluoro-2-(3-fluoro-4-methylphenyl)benzamide
CID 69129277
6-(3-fluoro-4-methylphenyl)-N,2,5-trimethylpyrimidin-4-amine
CID 113324439
5-ethyl-6-(3-fluoro-4-methylphenyl)-N-methylpyrimidin-4-amine
CID 115502644
5-(3-fluoro-4-methylphenyl)-N-methyl-1,3-thiazol-2-amine
CID 116811882
methyl 2-(3-fluoro-4-methylphenyl)benzoate
CID 15129923
2-fluoro-5-[2-(methylamino)-4-propan-2-ylpyrimidin-5-yl]benzamide
CID 134467314
2-(3-fluoro-4-methylphenyl)-1H-imidazole-5-carboxylic acid
CID 62252489
5-fluoro-2-(3-fluoro-4-methylphenyl)benzoic acid
CID 53225548
4-(3-fluoro-4-methylphenyl)-1,5-dimethylpyrazole
CID 121385904
3-fluoro-2,4-dimethylbenzamide
CID 119006165

Frequently Asked Questions

What is the IUPAC name of 5-(3-fluoro-4-methylphenyl)-4-methyl-2-(methylamino)pyridine-3-carboxamide?
The IUPAC name of 5-(3-fluoro-4-methylphenyl)-4-methyl-2-(methylamino)pyridine-3-carboxamide (CID 176694640) is 5-(3-fluoro-4-methylphenyl)-4-methyl-2-(methylamino)pyridine-3-carboxamide.
What is the SMILES notation for 5-(3-fluoro-4-methylphenyl)-4-methyl-2-(methylamino)pyridine-3-carboxamide?
The canonical SMILES for 5-(3-fluoro-4-methylphenyl)-4-methyl-2-(methylamino)pyridine-3-carboxamide is CNc1ncc(-c2ccc(C)c(F)c2)c(C)c1C(N)=O.
What is the InChIKey of 5-(3-fluoro-4-methylphenyl)-4-methyl-2-(methylamino)pyridine-3-carboxamide?
The InChIKey is UBTXLFFQEOXIJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O/c1-8-4-5-10(6-12(8)16)11-7-19-15(18-3)13(9(11)2)14(17)20/h4-7H,1-3H3,(H2,17,20)(H,18,19).
What are the key properties of 5-(3-fluoro-4-methylphenyl)-4-methyl-2-(methylamino)pyridine-3-carboxamide?
5-(3-fluoro-4-methylphenyl)-4-methyl-2-(methylamino)pyridine-3-carboxamide has a molecular weight of 273.31 g/mol, XLogP of 2.65, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluoro-4-methylphenyl)-4-methyl-2-(methylamino)pyridine-3-carboxamide is sourced from PubChem (CID 176694640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).