methyl 3-(4-hydroxy-2-methyl-6-oxo-1-pyridinyl)-4-methylbenzoate

C15H15NO4 — CID 54724193

IUPACmethyl 3-(4-hydroxy-2-methyl-6-oxo-1-pyridinyl)-4-methylbenzoate
SMILESCOC(=O)c1ccc(C)c(-n2c(C)cc(O)cc2=O)c1
InChIInChI=1S/C15H15NO4/c1-9-4-5-11(15(19)20-3)7-13(9)16-10(2)6-12(17)8-14(16)18/h4-8,17H,1-3H3
InChIKeyXJSKWXUZDHKHPR-UHFFFAOYSA-N
MW273.29 g/mol
LogP1.95
Rot. Bonds2

About methyl 3-(4-hydroxy-2-methyl-6-oxo-1-pyridinyl)-4-methylbenzoate

methyl 3-(4-hydroxy-2-methyl-6-oxo-1-pyridinyl)-4-methylbenzoate (PubChem CID 54724193) has the molecular formula C15H15NO4 and a molecular weight of 273.29 g/mol. Its IUPAC name is methyl 3-(4-hydroxy-2-methyl-6-oxo-1-pyridinyl)-4-methylbenzoate.

Molecular Properties

Compound Namemethyl 3-(4-hydroxy-2-methyl-6-oxo-1-pyridinyl)-4-methylbenzoate
PubChem CID54724193
Molecular FormulaC15H15NO4
Molecular Weight273.29 g/mol
Exact Mass273.10
IUPAC Namemethyl 3-(4-hydroxy-2-methyl-6-oxo-1-pyridinyl)-4-methylbenzoate
SMILESCOC(=O)c1ccc(C)c(-n2c(C)cc(O)cc2=O)c1
InChIInChI=1S/C15H15NO4/c1-9-4-5-11(15(19)20-3)7-13(9)16-10(2)6-12(17)8-14(16)18/h4-8,17H,1-3H3
InChIKeyXJSKWXUZDHKHPR-UHFFFAOYSA-N
XLogP1.95
TPSA68.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[2-(acetyloxymethyl)-4-hydroxy-6-oxo-1-pyridinyl]-4-methylbenzoate
CID 54724163
5-(1-hydroxy-3-oxobutylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione;methyl 3-amino-4-methylbenzoate;methyl 3-(4-hydroxy-2-methyl-6-oxo-1-pyridinyl)-4-methylbenzoate
CID 158581916
methyl 2-(2,5-dimethylphenyl)-1,3-dioxoisoindole-5-carboxylate
CID 823424
methyl 8-hydroxy-5-methylnaphthalene-2-carboxylate
CID 177113788
4-hydroxy-1-[3-(1-methoxyethenyl)-2-methylphenyl]-6-methylpyridin-2-one
CID 89134144
methyl 3-[3-[(E)-(2,5-dioxo-1-prop-2-enylimidazolidin-4-ylidene)methyl]-2,5-dimethylpyrrol-1-yl]-4-methylbenzoate
CID 126148006
methanamine;methyl 3-amino-4-methylbenzoate
CID 164531340
ethane;methyl 3-amino-4-methylbenzoate
CID 142981906
3-[4-[[4-fluoro-2-[(methoxycarbonylamino)methyl]phenyl]methoxy]-2-methyl-6-oxo-1-pyridinyl]-4-methylbenzoic acid
CID 22050631
methyl 3-[3-[(E)-[1-(3-chlorophenyl)-2,5-dioxoimidazolidin-4-ylidene]methyl]-2,5-dimethylpyrrol-1-yl]-4-methylbenzoate
CID 126071878
dimethyl 2-methylbenzene-1,4-dicarboxylate;ethane
CID 143252882
dipotassium;1-(chloromethyl)-2,4-difluorobenzene;hydride;4-hydroxy-6-methylpyran-2-one;methyl 3-amino-4-methylbenzoate;methyl 3-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-4-methylbenzoate;methyl 3-(3-bromo-4-hydroxy-6-methyl-2-oxo-1-pyridinyl)-4-methylbenzoate;methyl 3-(4-hydroxy-2-methyl-6-oxo-1-pyridinyl)-4-methylbenzoate;molecular bromine;oxido formate;hydrochloride
CID 158446730

Frequently Asked Questions

What is the IUPAC name of methyl 3-(4-hydroxy-2-methyl-6-oxo-1-pyridinyl)-4-methylbenzoate?
The IUPAC name of methyl 3-(4-hydroxy-2-methyl-6-oxo-1-pyridinyl)-4-methylbenzoate (CID 54724193) is methyl 3-(4-hydroxy-2-methyl-6-oxo-1-pyridinyl)-4-methylbenzoate.
What is the SMILES notation for methyl 3-(4-hydroxy-2-methyl-6-oxo-1-pyridinyl)-4-methylbenzoate?
The canonical SMILES for methyl 3-(4-hydroxy-2-methyl-6-oxo-1-pyridinyl)-4-methylbenzoate is COC(=O)c1ccc(C)c(-n2c(C)cc(O)cc2=O)c1.
What is the InChIKey of methyl 3-(4-hydroxy-2-methyl-6-oxo-1-pyridinyl)-4-methylbenzoate?
The InChIKey is XJSKWXUZDHKHPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4/c1-9-4-5-11(15(19)20-3)7-13(9)16-10(2)6-12(17)8-14(16)18/h4-8,17H,1-3H3.
What are the key properties of methyl 3-(4-hydroxy-2-methyl-6-oxo-1-pyridinyl)-4-methylbenzoate?
methyl 3-(4-hydroxy-2-methyl-6-oxo-1-pyridinyl)-4-methylbenzoate has a molecular weight of 273.29 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(4-hydroxy-2-methyl-6-oxo-1-pyridinyl)-4-methylbenzoate is sourced from PubChem (CID 54724193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).