4-(2-fluoro-4-methylanilino)-1-methyl-6-oxopyridine-3-carboxamide

C14H14FN3O2 — CID 11482748

IUPAC4-(2-fluoro-4-methylanilino)-1-methyl-6-oxopyridine-3-carboxamide
SMILESCc1ccc(Nc2cc(=O)n(C)cc2C(N)=O)c(F)c1
InChIInChI=1S/C14H14FN3O2/c1-8-3-4-11(10(15)5-8)17-12-6-13(19)18(2)7-9(12)14(16)20/h3-7,17H,1-2H3,(H2,16,20)
InChIKeyLALJVLOOQOFPJY-UHFFFAOYSA-N
MW275.28 g/mol
LogP1.68
Rot. Bonds3

About 4-(2-fluoro-4-methylanilino)-1-methyl-6-oxopyridine-3-carboxamide

4-(2-fluoro-4-methylanilino)-1-methyl-6-oxopyridine-3-carboxamide (PubChem CID 11482748) has the molecular formula C14H14FN3O2 and a molecular weight of 275.28 g/mol. Its IUPAC name is 4-(2-fluoro-4-methylanilino)-1-methyl-6-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name4-(2-fluoro-4-methylanilino)-1-methyl-6-oxopyridine-3-carboxamide
PubChem CID11482748
Molecular FormulaC14H14FN3O2
Molecular Weight275.28 g/mol
Exact Mass275.11
IUPAC Name4-(2-fluoro-4-methylanilino)-1-methyl-6-oxopyridine-3-carboxamide
SMILESCc1ccc(Nc2cc(=O)n(C)cc2C(N)=O)c(F)c1
InChIInChI=1S/C14H14FN3O2/c1-8-3-4-11(10(15)5-8)17-12-6-13(19)18(2)7-9(12)14(16)20/h3-7,17H,1-2H3,(H2,16,20)
InChIKeyLALJVLOOQOFPJY-UHFFFAOYSA-N
XLogP1.68
TPSA77.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.28
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-fluoro-4-methylanilino)-N-(2-hydroxyethyl)-1-methyl-6-oxopyridine-3-carboxamide
CID 142980506
4-(4-bromo-2-fluoroanilino)-1-methyl-6-oxopyridine-3-carboxylic acid
CID 11580925
2-(2-fluoro-4-methylanilino)-1,5-dimethyl-6-oxopyridine-3-carboxamide
CID 143439014
4-fluoro-2-(2-fluoro-4-methylanilino)-3-methylbenzamide
CID 166873038
3-(2-fluoro-4-methylanilino)pyridine-4-carboxamide
CID 143220427
4-[2-fluoro-4-(hydroxymethyl)anilino]-N-(2-hydroxyethoxy)-1-methyl-6-oxopyridine-3-carboxamide
CID 89335310
4-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethoxy)-1-methyl-6-oxopyridine-3-carboxamide
CID 11213014
5-[(2,3-dihydroxypropylamino)sulfanylamino]-4-(2-fluoro-4-methylanilino)-1-methylpyridin-2-one;ethane
CID 143564185
5-amino-4-(4-bromo-2-fluoroanilino)-1-methylpyridin-2-one
CID 58259896
5-chloro-2-(2-fluoro-4-methylanilino)benzenecarbothioamide
CID 63518880
1-(2,3-dihydroxypropyl)-N-[4-(2-fluoro-4-methylanilino)-1-methyl-6-oxo-3-pyridinyl]cyclopropane-1-sulfinamide
CID 143564129
ethane;1-[4-fluoro-2-(2-fluoro-4-methylanilino)benzoyl]azetidin-3-one
CID 143702156

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoro-4-methylanilino)-1-methyl-6-oxopyridine-3-carboxamide?
The IUPAC name of 4-(2-fluoro-4-methylanilino)-1-methyl-6-oxopyridine-3-carboxamide (CID 11482748) is 4-(2-fluoro-4-methylanilino)-1-methyl-6-oxopyridine-3-carboxamide.
What is the SMILES notation for 4-(2-fluoro-4-methylanilino)-1-methyl-6-oxopyridine-3-carboxamide?
The canonical SMILES for 4-(2-fluoro-4-methylanilino)-1-methyl-6-oxopyridine-3-carboxamide is Cc1ccc(Nc2cc(=O)n(C)cc2C(N)=O)c(F)c1.
What is the InChIKey of 4-(2-fluoro-4-methylanilino)-1-methyl-6-oxopyridine-3-carboxamide?
The InChIKey is LALJVLOOQOFPJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3O2/c1-8-3-4-11(10(15)5-8)17-12-6-13(19)18(2)7-9(12)14(16)20/h3-7,17H,1-2H3,(H2,16,20).
What are the key properties of 4-(2-fluoro-4-methylanilino)-1-methyl-6-oxopyridine-3-carboxamide?
4-(2-fluoro-4-methylanilino)-1-methyl-6-oxopyridine-3-carboxamide has a molecular weight of 275.28 g/mol, XLogP of 1.68, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoro-4-methylanilino)-1-methyl-6-oxopyridine-3-carboxamide is sourced from PubChem (CID 11482748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).