ethyl 2-[3-cyano-4-(methoxymethyl)-6-methyl-2-oxo-1-pyridinyl]acetate

C13H16N2O4 — CID 766713

IUPACethyl 2-[3-cyano-4-(methoxymethyl)-6-methyl-2-oxo-1-pyridinyl]acetate
SMILESCCOC(=O)Cn1c(C)cc(COC)c(C#N)c1=O
InChIInChI=1S/C13H16N2O4/c1-4-19-12(16)7-15-9(2)5-10(8-18-3)11(6-14)13(15)17/h5H,4,7-8H2,1-3H3
InChIKeyQPCVUBPUNYGQLA-UHFFFAOYSA-N
MW264.28 g/mol
LogP0.74
Rot. Bonds5

About ethyl 2-[3-cyano-4-(methoxymethyl)-6-methyl-2-oxo-1-pyridinyl]acetate

ethyl 2-[3-cyano-4-(methoxymethyl)-6-methyl-2-oxo-1-pyridinyl]acetate (PubChem CID 766713) has the molecular formula C13H16N2O4 and a molecular weight of 264.28 g/mol. Its IUPAC name is ethyl 2-[3-cyano-4-(methoxymethyl)-6-methyl-2-oxo-1-pyridinyl]acetate.

Molecular Properties

Compound Nameethyl 2-[3-cyano-4-(methoxymethyl)-6-methyl-2-oxo-1-pyridinyl]acetate
PubChem CID766713
Molecular FormulaC13H16N2O4
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC Nameethyl 2-[3-cyano-4-(methoxymethyl)-6-methyl-2-oxo-1-pyridinyl]acetate
SMILESCCOC(=O)Cn1c(C)cc(COC)c(C#N)c1=O
InChIInChI=1S/C13H16N2O4/c1-4-19-12(16)7-15-9(2)5-10(8-18-3)11(6-14)13(15)17/h5H,4,7-8H2,1-3H3
InChIKeyQPCVUBPUNYGQLA-UHFFFAOYSA-N
XLogP0.74
TPSA81.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-cyano-4-(methoxymethyl)-6-methyl-2-oxo-1-pyridinyl]acetate?
The IUPAC name of ethyl 2-[3-cyano-4-(methoxymethyl)-6-methyl-2-oxo-1-pyridinyl]acetate (CID 766713) is ethyl 2-[3-cyano-4-(methoxymethyl)-6-methyl-2-oxo-1-pyridinyl]acetate.
What is the SMILES notation for ethyl 2-[3-cyano-4-(methoxymethyl)-6-methyl-2-oxo-1-pyridinyl]acetate?
The canonical SMILES for ethyl 2-[3-cyano-4-(methoxymethyl)-6-methyl-2-oxo-1-pyridinyl]acetate is CCOC(=O)Cn1c(C)cc(COC)c(C#N)c1=O.
What is the InChIKey of ethyl 2-[3-cyano-4-(methoxymethyl)-6-methyl-2-oxo-1-pyridinyl]acetate?
The InChIKey is QPCVUBPUNYGQLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4/c1-4-19-12(16)7-15-9(2)5-10(8-18-3)11(6-14)13(15)17/h5H,4,7-8H2,1-3H3.
What are the key properties of ethyl 2-[3-cyano-4-(methoxymethyl)-6-methyl-2-oxo-1-pyridinyl]acetate?
ethyl 2-[3-cyano-4-(methoxymethyl)-6-methyl-2-oxo-1-pyridinyl]acetate has a molecular weight of 264.28 g/mol, XLogP of 0.74, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-cyano-4-(methoxymethyl)-6-methyl-2-oxo-1-pyridinyl]acetate is sourced from PubChem (CID 766713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).