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

C14H21NO4 — CID 67831099

IUPAC2-(6-ethyl-5-hydroxy-4-oxo-3H-pyridin-3-yl)ethyl 2,2-dimethylpropanoate
SMILESCCC1=C(O)C(=O)C(CCOC(=O)C(C)(C)C)C=N1
InChIInChI=1S/C14H21NO4/c1-5-10-12(17)11(16)9(8-15-10)6-7-19-13(18)14(2,3)4/h8-9,17H,5-7H2,1-4H3
InChIKeyUUXDDUZQTFRUNL-UHFFFAOYSA-N
MW267.32 g/mol
LogP2.42
Rot. Bonds4

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

2-(6-ethyl-5-hydroxy-4-oxo-3H-pyridin-3-yl)ethyl 2,2-dimethylpropanoate (PubChem CID 67831099) has the molecular formula C14H21NO4 and a molecular weight of 267.32 g/mol. Its IUPAC name is 2-(6-ethyl-5-hydroxy-4-oxo-3H-pyridin-3-yl)ethyl 2,2-dimethylpropanoate.

Molecular Properties

Compound Name2-(6-ethyl-5-hydroxy-4-oxo-3H-pyridin-3-yl)ethyl 2,2-dimethylpropanoate
PubChem CID67831099
Molecular FormulaC14H21NO4
Molecular Weight267.32 g/mol
Exact Mass267.15
IUPAC Name2-(6-ethyl-5-hydroxy-4-oxo-3H-pyridin-3-yl)ethyl 2,2-dimethylpropanoate
SMILESCCC1=C(O)C(=O)C(CCOC(=O)C(C)(C)C)C=N1
InChIInChI=1S/C14H21NO4/c1-5-10-12(17)11(16)9(8-15-10)6-7-19-13(18)14(2,3)4/h8-9,17H,5-7H2,1-4H3
InChIKeyUUXDDUZQTFRUNL-UHFFFAOYSA-N
XLogP2.42
TPSA75.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(6-ethyl-5-hydroxy-4-oxo-3H-pyridin-3-yl)ethyl 2,2-dimethylpropanoate?
The IUPAC name of 2-(6-ethyl-5-hydroxy-4-oxo-3H-pyridin-3-yl)ethyl 2,2-dimethylpropanoate (CID 67831099) is 2-(6-ethyl-5-hydroxy-4-oxo-3H-pyridin-3-yl)ethyl 2,2-dimethylpropanoate.
What is the SMILES notation for 2-(6-ethyl-5-hydroxy-4-oxo-3H-pyridin-3-yl)ethyl 2,2-dimethylpropanoate?
The canonical SMILES for 2-(6-ethyl-5-hydroxy-4-oxo-3H-pyridin-3-yl)ethyl 2,2-dimethylpropanoate is CCC1=C(O)C(=O)C(CCOC(=O)C(C)(C)C)C=N1.
What is the InChIKey of 2-(6-ethyl-5-hydroxy-4-oxo-3H-pyridin-3-yl)ethyl 2,2-dimethylpropanoate?
The InChIKey is UUXDDUZQTFRUNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4/c1-5-10-12(17)11(16)9(8-15-10)6-7-19-13(18)14(2,3)4/h8-9,17H,5-7H2,1-4H3.
What are the key properties of 2-(6-ethyl-5-hydroxy-4-oxo-3H-pyridin-3-yl)ethyl 2,2-dimethylpropanoate?
2-(6-ethyl-5-hydroxy-4-oxo-3H-pyridin-3-yl)ethyl 2,2-dimethylpropanoate has a molecular weight of 267.32 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-ethyl-5-hydroxy-4-oxo-3H-pyridin-3-yl)ethyl 2,2-dimethylpropanoate is sourced from PubChem (CID 67831099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).