ethyl 6-(1-cyclohexylethyl)-4-hydroxy-2-oxo-1H-pyridine-3-carboxylate

C16H23NO4 — CID 141247359

IUPACethyl 6-(1-cyclohexylethyl)-4-hydroxy-2-oxo-1H-pyridine-3-carboxylate
SMILESCCOC(=O)c1c(O)cc(C(C)C2CCCCC2)[nH]c1=O
InChIInChI=1S/C16H23NO4/c1-3-21-16(20)14-13(18)9-12(17-15(14)19)10(2)11-7-5-4-6-8-11/h9-11H,3-8H2,1-2H3,(H2,17,18,19)
InChIKeyAICIUVJGQOEWJT-UHFFFAOYSA-N
MW293.36 g/mol
LogP2.94
Rot. Bonds4

About ethyl 6-(1-cyclohexylethyl)-4-hydroxy-2-oxo-1H-pyridine-3-carboxylate

ethyl 6-(1-cyclohexylethyl)-4-hydroxy-2-oxo-1H-pyridine-3-carboxylate (PubChem CID 141247359) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is ethyl 6-(1-cyclohexylethyl)-4-hydroxy-2-oxo-1H-pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-(1-cyclohexylethyl)-4-hydroxy-2-oxo-1H-pyridine-3-carboxylate
PubChem CID141247359
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Nameethyl 6-(1-cyclohexylethyl)-4-hydroxy-2-oxo-1H-pyridine-3-carboxylate
SMILESCCOC(=O)c1c(O)cc(C(C)C2CCCCC2)[nH]c1=O
InChIInChI=1S/C16H23NO4/c1-3-21-16(20)14-13(18)9-12(17-15(14)19)10(2)11-7-5-4-6-8-11/h9-11H,3-8H2,1-2H3,(H2,17,18,19)
InChIKeyAICIUVJGQOEWJT-UHFFFAOYSA-N
XLogP2.94
TPSA79.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-(1-cyclohexylethyl)-4-hydroxy-2-oxo-1H-pyridine-3-carboxylate?
The IUPAC name of ethyl 6-(1-cyclohexylethyl)-4-hydroxy-2-oxo-1H-pyridine-3-carboxylate (CID 141247359) is ethyl 6-(1-cyclohexylethyl)-4-hydroxy-2-oxo-1H-pyridine-3-carboxylate.
What is the SMILES notation for ethyl 6-(1-cyclohexylethyl)-4-hydroxy-2-oxo-1H-pyridine-3-carboxylate?
The canonical SMILES for ethyl 6-(1-cyclohexylethyl)-4-hydroxy-2-oxo-1H-pyridine-3-carboxylate is CCOC(=O)c1c(O)cc(C(C)C2CCCCC2)[nH]c1=O.
What is the InChIKey of ethyl 6-(1-cyclohexylethyl)-4-hydroxy-2-oxo-1H-pyridine-3-carboxylate?
The InChIKey is AICIUVJGQOEWJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c1-3-21-16(20)14-13(18)9-12(17-15(14)19)10(2)11-7-5-4-6-8-11/h9-11H,3-8H2,1-2H3,(H2,17,18,19).
What are the key properties of ethyl 6-(1-cyclohexylethyl)-4-hydroxy-2-oxo-1H-pyridine-3-carboxylate?
ethyl 6-(1-cyclohexylethyl)-4-hydroxy-2-oxo-1H-pyridine-3-carboxylate has a molecular weight of 293.36 g/mol, XLogP of 2.94, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-(1-cyclohexylethyl)-4-hydroxy-2-oxo-1H-pyridine-3-carboxylate is sourced from PubChem (CID 141247359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).