2-(4-ethyl-2-fluoroanilino)-1,5-dimethyl-6-oxopyridine-3-carboxylic acid

C16H17FN2O3 — CID 91555123

IUPAC2-(4-ethyl-2-fluoroanilino)-1,5-dimethyl-6-oxopyridine-3-carboxylic acid
SMILESCCc1ccc(Nc2c(C(=O)O)cc(C)c(=O)n2C)c(F)c1
InChIInChI=1S/C16H17FN2O3/c1-4-10-5-6-13(12(17)8-10)18-14-11(16(21)22)7-9(2)15(20)19(14)3/h5-8,18H,4H2,1-3H3,(H,21,22)
InChIKeyLWUWWANUACDYCK-UHFFFAOYSA-N
MW304.32 g/mol
LogP2.84
Rot. Bonds4

About 2-(4-ethyl-2-fluoroanilino)-1,5-dimethyl-6-oxopyridine-3-carboxylic acid

2-(4-ethyl-2-fluoroanilino)-1,5-dimethyl-6-oxopyridine-3-carboxylic acid (PubChem CID 91555123) has the molecular formula C16H17FN2O3 and a molecular weight of 304.32 g/mol. Its IUPAC name is 2-(4-ethyl-2-fluoroanilino)-1,5-dimethyl-6-oxopyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(4-ethyl-2-fluoroanilino)-1,5-dimethyl-6-oxopyridine-3-carboxylic acid
PubChem CID91555123
Molecular FormulaC16H17FN2O3
Molecular Weight304.32 g/mol
Exact Mass304.12
IUPAC Name2-(4-ethyl-2-fluoroanilino)-1,5-dimethyl-6-oxopyridine-3-carboxylic acid
SMILESCCc1ccc(Nc2c(C(=O)O)cc(C)c(=O)n2C)c(F)c1
InChIInChI=1S/C16H17FN2O3/c1-4-10-5-6-13(12(17)8-10)18-14-11(16(21)22)7-9(2)15(20)19(14)3/h5-8,18H,4H2,1-3H3,(H,21,22)
InChIKeyLWUWWANUACDYCK-UHFFFAOYSA-N
XLogP2.84
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

CID 88870300
CID 88870300
2-(2-fluoro-4-methylanilino)-1,5-dimethyl-6-oxopyridine-3-carboxamide
CID 143439014
N-[2-(4-ethyl-2-fluoroanilino)-1,5-dimethyl-6-oxo-3-pyridinyl]-4-methylbenzenesulfinamide
CID 90829292
2-(2-fluoro-4-iodoanilino)-N-methoxy-1,5-dimethyl-6-oxopyridine-3-carboxamide
CID 59342492
N-[2-(4-ethyl-2-fluoroanilino)-1,5-dimethyl-6-oxo-3-pyridinyl]-2-(2-fluoro-4-methoxyphenyl)cyclopropane-1-sulfinamide
CID 90917302
methyl 2-(4-ethyl-2-fluoroanilino)-1-methyl-6-oxo-4-(2-oxoethyl)pyridine-3-carboxylate
CID 165386484
2-[[2-(2-fluoro-4-iodoanilino)-1,5-dimethyl-6-oxopyridine-3-carbonyl]amino]oxyethyl (2S)-2-aminopropanoate
CID 89307323
N-[3-[5-(4-ethyl-2-fluoroanilino)-3,6,8-trimethyl-2,4,7-trioxopyrido[4,3-d]pyrimidin-1-yl]phenyl]acetamide
CID 59717495
1-[2,3-bis(phenylmethoxy)propyl]-N-[2-(4-ethyl-2-fluoroanilino)-1,5-dimethyl-6-oxo-3-pyridinyl]cyclopropane-1-sulfinamide
CID 91282782
5-[[2-(ethylsulfonylamino)-4-pyridinyl]methyl]-2-(2-fluoro-4-iodoanilino)-1-methyl-6-oxopyridine-3-carboxylic acid
CID 156808897
5-fluoro-2-(2-fluoro-4-methylanilino)-N-(2-hydroxyethoxy)-1-methyl-6-oxopyridine-3-carboxamide
CID 143438987
2-[(2-fluoro-4-methylphenyl)methyl]-1,5-dimethyl-6-oxopyridine-3-carboxylic acid
CID 158652939

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethyl-2-fluoroanilino)-1,5-dimethyl-6-oxopyridine-3-carboxylic acid?
The IUPAC name of 2-(4-ethyl-2-fluoroanilino)-1,5-dimethyl-6-oxopyridine-3-carboxylic acid (CID 91555123) is 2-(4-ethyl-2-fluoroanilino)-1,5-dimethyl-6-oxopyridine-3-carboxylic acid.
What is the SMILES notation for 2-(4-ethyl-2-fluoroanilino)-1,5-dimethyl-6-oxopyridine-3-carboxylic acid?
The canonical SMILES for 2-(4-ethyl-2-fluoroanilino)-1,5-dimethyl-6-oxopyridine-3-carboxylic acid is CCc1ccc(Nc2c(C(=O)O)cc(C)c(=O)n2C)c(F)c1.
What is the InChIKey of 2-(4-ethyl-2-fluoroanilino)-1,5-dimethyl-6-oxopyridine-3-carboxylic acid?
The InChIKey is LWUWWANUACDYCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O3/c1-4-10-5-6-13(12(17)8-10)18-14-11(16(21)22)7-9(2)15(20)19(14)3/h5-8,18H,4H2,1-3H3,(H,21,22).
What are the key properties of 2-(4-ethyl-2-fluoroanilino)-1,5-dimethyl-6-oxopyridine-3-carboxylic acid?
2-(4-ethyl-2-fluoroanilino)-1,5-dimethyl-6-oxopyridine-3-carboxylic acid has a molecular weight of 304.32 g/mol, XLogP of 2.84, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-2-fluoroanilino)-1,5-dimethyl-6-oxopyridine-3-carboxylic acid is sourced from PubChem (CID 91555123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).