2-(5-hydroxy-6-methyl-4-oxo-3H-pyridin-3-yl)ethyl 2,2-dimethylpropanoate

C13H19NO4 — CID 67831105

IUPAC2-(5-hydroxy-6-methyl-4-oxo-3H-pyridin-3-yl)ethyl 2,2-dimethylpropanoate
SMILESCC1=C(O)C(=O)C(CCOC(=O)C(C)(C)C)C=N1
InChIInChI=1S/C13H19NO4/c1-8-10(15)11(16)9(7-14-8)5-6-18-12(17)13(2,3)4/h7,9,15H,5-6H2,1-4H3
InChIKeyWVFNYVZVBSQMJN-UHFFFAOYSA-N
MW253.30 g/mol
LogP2.03
Rot. Bonds3

About 2-(5-hydroxy-6-methyl-4-oxo-3H-pyridin-3-yl)ethyl 2,2-dimethylpropanoate

2-(5-hydroxy-6-methyl-4-oxo-3H-pyridin-3-yl)ethyl 2,2-dimethylpropanoate (PubChem CID 67831105) has the molecular formula C13H19NO4 and a molecular weight of 253.30 g/mol. Its IUPAC name is 2-(5-hydroxy-6-methyl-4-oxo-3H-pyridin-3-yl)ethyl 2,2-dimethylpropanoate.

Molecular Properties

Compound Name2-(5-hydroxy-6-methyl-4-oxo-3H-pyridin-3-yl)ethyl 2,2-dimethylpropanoate
PubChem CID67831105
Molecular FormulaC13H19NO4
Molecular Weight253.30 g/mol
Exact Mass253.13
IUPAC Name2-(5-hydroxy-6-methyl-4-oxo-3H-pyridin-3-yl)ethyl 2,2-dimethylpropanoate
SMILESCC1=C(O)C(=O)C(CCOC(=O)C(C)(C)C)C=N1
InChIInChI=1S/C13H19NO4/c1-8-10(15)11(16)9(7-14-8)5-6-18-12(17)13(2,3)4/h7,9,15H,5-6H2,1-4H3
InChIKeyWVFNYVZVBSQMJN-UHFFFAOYSA-N
XLogP2.03
TPSA75.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5-hydroxy-6-methyl-4-oxo-3H-pyridin-3-yl)ethyl 2,2-dimethylpropanoate?
The IUPAC name of 2-(5-hydroxy-6-methyl-4-oxo-3H-pyridin-3-yl)ethyl 2,2-dimethylpropanoate (CID 67831105) is 2-(5-hydroxy-6-methyl-4-oxo-3H-pyridin-3-yl)ethyl 2,2-dimethylpropanoate.
What is the SMILES notation for 2-(5-hydroxy-6-methyl-4-oxo-3H-pyridin-3-yl)ethyl 2,2-dimethylpropanoate?
The canonical SMILES for 2-(5-hydroxy-6-methyl-4-oxo-3H-pyridin-3-yl)ethyl 2,2-dimethylpropanoate is CC1=C(O)C(=O)C(CCOC(=O)C(C)(C)C)C=N1.
What is the InChIKey of 2-(5-hydroxy-6-methyl-4-oxo-3H-pyridin-3-yl)ethyl 2,2-dimethylpropanoate?
The InChIKey is WVFNYVZVBSQMJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4/c1-8-10(15)11(16)9(7-14-8)5-6-18-12(17)13(2,3)4/h7,9,15H,5-6H2,1-4H3.
What are the key properties of 2-(5-hydroxy-6-methyl-4-oxo-3H-pyridin-3-yl)ethyl 2,2-dimethylpropanoate?
2-(5-hydroxy-6-methyl-4-oxo-3H-pyridin-3-yl)ethyl 2,2-dimethylpropanoate has a molecular weight of 253.30 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-hydroxy-6-methyl-4-oxo-3H-pyridin-3-yl)ethyl 2,2-dimethylpropanoate is sourced from PubChem (CID 67831105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).