ethyl 3-cyano-6-ethyl-1-methyl-2-oxopyridine-4-carboxylate

C12H14N2O3 — CID 1208323

IUPACethyl 3-cyano-6-ethyl-1-methyl-2-oxopyridine-4-carboxylate
SMILESCCOC(=O)c1cc(CC)n(C)c(=O)c1C#N
InChIInChI=1S/C12H14N2O3/c1-4-8-6-9(12(16)17-5-2)10(7-13)11(15)14(8)3/h6H,4-5H2,1-3H3
InChIKeyPNYLFYOIQYWOIJ-UHFFFAOYSA-N
MW234.25 g/mol
LogP1.00
Rot. Bonds3

About ethyl 3-cyano-6-ethyl-1-methyl-2-oxopyridine-4-carboxylate

ethyl 3-cyano-6-ethyl-1-methyl-2-oxopyridine-4-carboxylate (PubChem CID 1208323) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is ethyl 3-cyano-6-ethyl-1-methyl-2-oxopyridine-4-carboxylate.

Molecular Properties

Compound Nameethyl 3-cyano-6-ethyl-1-methyl-2-oxopyridine-4-carboxylate
PubChem CID1208323
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Nameethyl 3-cyano-6-ethyl-1-methyl-2-oxopyridine-4-carboxylate
SMILESCCOC(=O)c1cc(CC)n(C)c(=O)c1C#N
InChIInChI=1S/C12H14N2O3/c1-4-8-6-9(12(16)17-5-2)10(7-13)11(15)14(8)3/h6H,4-5H2,1-3H3
InChIKeyPNYLFYOIQYWOIJ-UHFFFAOYSA-N
XLogP1.00
TPSA72.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-cyano-6-ethyl-1-methyl-2-oxopyridine-4-carboxylate?
The IUPAC name of ethyl 3-cyano-6-ethyl-1-methyl-2-oxopyridine-4-carboxylate (CID 1208323) is ethyl 3-cyano-6-ethyl-1-methyl-2-oxopyridine-4-carboxylate.
What is the SMILES notation for ethyl 3-cyano-6-ethyl-1-methyl-2-oxopyridine-4-carboxylate?
The canonical SMILES for ethyl 3-cyano-6-ethyl-1-methyl-2-oxopyridine-4-carboxylate is CCOC(=O)c1cc(CC)n(C)c(=O)c1C#N.
What is the InChIKey of ethyl 3-cyano-6-ethyl-1-methyl-2-oxopyridine-4-carboxylate?
The InChIKey is PNYLFYOIQYWOIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3/c1-4-8-6-9(12(16)17-5-2)10(7-13)11(15)14(8)3/h6H,4-5H2,1-3H3.
What are the key properties of ethyl 3-cyano-6-ethyl-1-methyl-2-oxopyridine-4-carboxylate?
ethyl 3-cyano-6-ethyl-1-methyl-2-oxopyridine-4-carboxylate has a molecular weight of 234.25 g/mol, XLogP of 1.00, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-cyano-6-ethyl-1-methyl-2-oxopyridine-4-carboxylate is sourced from PubChem (CID 1208323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).