1-[2-(2-ethoxyethoxy)ethyl]-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile

C13H18N2O4 — CID 162372584

IUPAC1-[2-(2-ethoxyethoxy)ethyl]-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile
SMILESCCOCCOCCn1c(O)c(C#N)c(C)cc1=O
InChIInChI=1S/C13H18N2O4/c1-3-18-6-7-19-5-4-15-12(16)8-10(2)11(9-14)13(15)17/h8,17H,3-7H2,1-2H3
InChIKeyMLHLDMGAJYUYJS-UHFFFAOYSA-N
MW266.30 g/mol
LogP0.79
Rot. Bonds7

About 1-[2-(2-ethoxyethoxy)ethyl]-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile

1-[2-(2-ethoxyethoxy)ethyl]-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile (PubChem CID 162372584) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is 1-[2-(2-ethoxyethoxy)ethyl]-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name1-[2-(2-ethoxyethoxy)ethyl]-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile
PubChem CID162372584
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name1-[2-(2-ethoxyethoxy)ethyl]-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile
SMILESCCOCCOCCn1c(O)c(C#N)c(C)cc1=O
InChIInChI=1S/C13H18N2O4/c1-3-18-6-7-19-5-4-15-12(16)8-10(2)11(9-14)13(15)17/h8,17H,3-7H2,1-2H3
InChIKeyMLHLDMGAJYUYJS-UHFFFAOYSA-N
XLogP0.79
TPSA84.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 50.79
H-Bond Donors ≤ 51
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 1-[2-(2-ethoxyethoxy)ethyl]-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile?
The IUPAC name of 1-[2-(2-ethoxyethoxy)ethyl]-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile (CID 162372584) is 1-[2-(2-ethoxyethoxy)ethyl]-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile.
What is the SMILES notation for 1-[2-(2-ethoxyethoxy)ethyl]-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile?
The canonical SMILES for 1-[2-(2-ethoxyethoxy)ethyl]-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile is CCOCCOCCn1c(O)c(C#N)c(C)cc1=O.
What is the InChIKey of 1-[2-(2-ethoxyethoxy)ethyl]-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile?
The InChIKey is MLHLDMGAJYUYJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-3-18-6-7-19-5-4-15-12(16)8-10(2)11(9-14)13(15)17/h8,17H,3-7H2,1-2H3.
What are the key properties of 1-[2-(2-ethoxyethoxy)ethyl]-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile?
1-[2-(2-ethoxyethoxy)ethyl]-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile has a molecular weight of 266.30 g/mol, XLogP of 0.79, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-ethoxyethoxy)ethyl]-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile is sourced from PubChem (CID 162372584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).