methyl 1,5,6-triethyl-4-hydroxy-2-oxopyridine-3-carboxylate

C13H19NO4 — CID 91578583

IUPACmethyl 1,5,6-triethyl-4-hydroxy-2-oxopyridine-3-carboxylate
SMILESCCc1c(O)c(C(=O)OC)c(=O)n(CC)c1CC
InChIInChI=1S/C13H19NO4/c1-5-8-9(6-2)14(7-3)12(16)10(11(8)15)13(17)18-4/h15H,5-7H2,1-4H3
InChIKeyGHCMLUIWHVXLBP-UHFFFAOYSA-N
MW253.30 g/mol
LogP1.49
Rot. Bonds4

About methyl 1,5,6-triethyl-4-hydroxy-2-oxopyridine-3-carboxylate

methyl 1,5,6-triethyl-4-hydroxy-2-oxopyridine-3-carboxylate (PubChem CID 91578583) has the molecular formula C13H19NO4 and a molecular weight of 253.30 g/mol. Its IUPAC name is methyl 1,5,6-triethyl-4-hydroxy-2-oxopyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1,5,6-triethyl-4-hydroxy-2-oxopyridine-3-carboxylate
PubChem CID91578583
Molecular FormulaC13H19NO4
Molecular Weight253.30 g/mol
Exact Mass253.13
IUPAC Namemethyl 1,5,6-triethyl-4-hydroxy-2-oxopyridine-3-carboxylate
SMILESCCc1c(O)c(C(=O)OC)c(=O)n(CC)c1CC
InChIInChI=1S/C13H19NO4/c1-5-8-9(6-2)14(7-3)12(16)10(11(8)15)13(17)18-4/h15H,5-7H2,1-4H3
InChIKeyGHCMLUIWHVXLBP-UHFFFAOYSA-N
XLogP1.49
TPSA68.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 5-ethyl-4-hydroxy-6-methyl-2-oxo-1H-pyridine-3-carboxylate
CID 58024646
diethyl 2,5-diethyl-3,6-dihydroxybenzene-1,4-dicarboxylate
CID 176550892
dimethyl 1-ethenyl-2-ethyl-5-methylpyrrole-3,4-dicarboxylate
CID 102154787
methyl 4-[(1-ethyl-4-hydroxy-2-oxoquinoline-3-carbonyl)amino]benzoate
CID 54679619
methyl 2-chloro-5-ethyl-4-methyl-6-oxo-1H-pyridine-3-carboxylate
CID 69285399
dimethyl 5-butyl-2-ethyl-4-hydroxybenzene-1,3-dicarboxylate
CID 42640367
methyl 4-bromo-1-ethyl-2-methyl-5-propan-2-ylpyrrole-3-carboxylate
CID 91672784
ethyl 1-ethyl-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxylate
CID 54696180
(1,3,4-triethyl-2,6-dioxopyrimidin-5-yl) hydrogen carbonate
CID 21185415
methyl 3-ethyl-5-fluoro-2-hydroxy-6-(2-methoxyphenyl)-4-methylbenzoate
CID 102273480
methyl 6-cyano-2,3-diethylbenzoate
CID 134613355
methyl 5-amino-4-ethyl-1-propan-2-ylpyrazole-3-carboxylate
CID 105465044

Frequently Asked Questions

What is the IUPAC name of methyl 1,5,6-triethyl-4-hydroxy-2-oxopyridine-3-carboxylate?
The IUPAC name of methyl 1,5,6-triethyl-4-hydroxy-2-oxopyridine-3-carboxylate (CID 91578583) is methyl 1,5,6-triethyl-4-hydroxy-2-oxopyridine-3-carboxylate.
What is the SMILES notation for methyl 1,5,6-triethyl-4-hydroxy-2-oxopyridine-3-carboxylate?
The canonical SMILES for methyl 1,5,6-triethyl-4-hydroxy-2-oxopyridine-3-carboxylate is CCc1c(O)c(C(=O)OC)c(=O)n(CC)c1CC.
What is the InChIKey of methyl 1,5,6-triethyl-4-hydroxy-2-oxopyridine-3-carboxylate?
The InChIKey is GHCMLUIWHVXLBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4/c1-5-8-9(6-2)14(7-3)12(16)10(11(8)15)13(17)18-4/h15H,5-7H2,1-4H3.
What are the key properties of methyl 1,5,6-triethyl-4-hydroxy-2-oxopyridine-3-carboxylate?
methyl 1,5,6-triethyl-4-hydroxy-2-oxopyridine-3-carboxylate has a molecular weight of 253.30 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1,5,6-triethyl-4-hydroxy-2-oxopyridine-3-carboxylate is sourced from PubChem (CID 91578583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).