2-ethoxyethyl 2-(3-cyano-6-methyl-2-oxo-1-pyridinyl)butanoate

C15H20N2O4 — CID 82099427

IUPAC2-ethoxyethyl 2-(3-cyano-6-methyl-2-oxo-1-pyridinyl)butanoate
SMILESCCOCCOC(=O)C(CC)n1c(C)ccc(C#N)c1=O
InChIInChI=1S/C15H20N2O4/c1-4-13(15(19)21-9-8-20-5-2)17-11(3)6-7-12(10-16)14(17)18/h6-7,13H,4-5,8-9H2,1-3H3
InChIKeyIZNOBJXALAGRHX-UHFFFAOYSA-N
MW292.34 g/mol
LogP1.56
Rot. Bonds7

About 2-ethoxyethyl 2-(3-cyano-6-methyl-2-oxo-1-pyridinyl)butanoate

2-ethoxyethyl 2-(3-cyano-6-methyl-2-oxo-1-pyridinyl)butanoate (PubChem CID 82099427) has the molecular formula C15H20N2O4 and a molecular weight of 292.34 g/mol. Its IUPAC name is 2-ethoxyethyl 2-(3-cyano-6-methyl-2-oxo-1-pyridinyl)butanoate.

Molecular Properties

Compound Name2-ethoxyethyl 2-(3-cyano-6-methyl-2-oxo-1-pyridinyl)butanoate
PubChem CID82099427
Molecular FormulaC15H20N2O4
Molecular Weight292.34 g/mol
Exact Mass292.14
IUPAC Name2-ethoxyethyl 2-(3-cyano-6-methyl-2-oxo-1-pyridinyl)butanoate
SMILESCCOCCOC(=O)C(CC)n1c(C)ccc(C#N)c1=O
InChIInChI=1S/C15H20N2O4/c1-4-13(15(19)21-9-8-20-5-2)17-11(3)6-7-12(10-16)14(17)18/h6-7,13H,4-5,8-9H2,1-3H3
InChIKeyIZNOBJXALAGRHX-UHFFFAOYSA-N
XLogP1.56
TPSA81.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxyethyl 2-(3-cyano-6-methyl-2-oxo-1-pyridinyl)butanoate?
The IUPAC name of 2-ethoxyethyl 2-(3-cyano-6-methyl-2-oxo-1-pyridinyl)butanoate (CID 82099427) is 2-ethoxyethyl 2-(3-cyano-6-methyl-2-oxo-1-pyridinyl)butanoate.
What is the SMILES notation for 2-ethoxyethyl 2-(3-cyano-6-methyl-2-oxo-1-pyridinyl)butanoate?
The canonical SMILES for 2-ethoxyethyl 2-(3-cyano-6-methyl-2-oxo-1-pyridinyl)butanoate is CCOCCOC(=O)C(CC)n1c(C)ccc(C#N)c1=O.
What is the InChIKey of 2-ethoxyethyl 2-(3-cyano-6-methyl-2-oxo-1-pyridinyl)butanoate?
The InChIKey is IZNOBJXALAGRHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-4-13(15(19)21-9-8-20-5-2)17-11(3)6-7-12(10-16)14(17)18/h6-7,13H,4-5,8-9H2,1-3H3.
What are the key properties of 2-ethoxyethyl 2-(3-cyano-6-methyl-2-oxo-1-pyridinyl)butanoate?
2-ethoxyethyl 2-(3-cyano-6-methyl-2-oxo-1-pyridinyl)butanoate has a molecular weight of 292.34 g/mol, XLogP of 1.56, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxyethyl 2-(3-cyano-6-methyl-2-oxo-1-pyridinyl)butanoate is sourced from PubChem (CID 82099427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).