ethyl 5-methoxy-2-methyl-4-oxopyridine-1-carboxylate

C10H13NO4 — CID 5314144

IUPACethyl 5-methoxy-2-methyl-4-oxopyridine-1-carboxylate
SMILESCCOC(=O)n1cc(OC)c(=O)cc1C
InChIInChI=1S/C10H13NO4/c1-4-15-10(13)11-6-9(14-3)8(12)5-7(11)2/h5-6H,4H2,1-3H3
InChIKeyJDKJGSHCOCFFNQ-UHFFFAOYSA-N
MW211.22 g/mol
LogP1.17
Rot. Bonds2

About ethyl 5-methoxy-2-methyl-4-oxopyridine-1-carboxylate

ethyl 5-methoxy-2-methyl-4-oxopyridine-1-carboxylate (PubChem CID 5314144) has the molecular formula C10H13NO4 and a molecular weight of 211.22 g/mol. Its IUPAC name is ethyl 5-methoxy-2-methyl-4-oxopyridine-1-carboxylate.

Molecular Properties

Compound Nameethyl 5-methoxy-2-methyl-4-oxopyridine-1-carboxylate
PubChem CID5314144
Molecular FormulaC10H13NO4
Molecular Weight211.22 g/mol
Exact Mass211.08
IUPAC Nameethyl 5-methoxy-2-methyl-4-oxopyridine-1-carboxylate
SMILESCCOC(=O)n1cc(OC)c(=O)cc1C
InChIInChI=1S/C10H13NO4/c1-4-15-10(13)11-6-9(14-3)8(12)5-7(11)2/h5-6H,4H2,1-3H3
InChIKeyJDKJGSHCOCFFNQ-UHFFFAOYSA-N
XLogP1.17
TPSA57.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 5-methoxy-2-methyl-4-oxopyridine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 5-methoxy-2-methyl-4-oxopyridine-1-carboxylate?
The IUPAC name of ethyl 5-methoxy-2-methyl-4-oxopyridine-1-carboxylate (CID 5314144) is ethyl 5-methoxy-2-methyl-4-oxopyridine-1-carboxylate.
What is the SMILES notation for ethyl 5-methoxy-2-methyl-4-oxopyridine-1-carboxylate?
The canonical SMILES for ethyl 5-methoxy-2-methyl-4-oxopyridine-1-carboxylate is CCOC(=O)n1cc(OC)c(=O)cc1C.
What is the InChIKey of ethyl 5-methoxy-2-methyl-4-oxopyridine-1-carboxylate?
The InChIKey is JDKJGSHCOCFFNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO4/c1-4-15-10(13)11-6-9(14-3)8(12)5-7(11)2/h5-6H,4H2,1-3H3.
What are the key properties of ethyl 5-methoxy-2-methyl-4-oxopyridine-1-carboxylate?
ethyl 5-methoxy-2-methyl-4-oxopyridine-1-carboxylate has a molecular weight of 211.22 g/mol, XLogP of 1.17, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-methoxy-2-methyl-4-oxopyridine-1-carboxylate is sourced from PubChem (CID 5314144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).