3,3-diethyl-1-(6-methyl-3-pyridinyl)azetidine-2,4-dione

C13H16N2O2 — CID 44626812

IUPAC3,3-diethyl-1-(6-methyl-3-pyridinyl)azetidine-2,4-dione
SMILESCCC1(CC)C(=O)N(c2ccc(C)nc2)C1=O
InChIInChI=1S/C13H16N2O2/c1-4-13(5-2)11(16)15(12(13)17)10-7-6-9(3)14-8-10/h6-8H,4-5H2,1-3H3
InChIKeyPFYCIJUQCNQGJE-UHFFFAOYSA-N
MW232.28 g/mol
LogP2.07
Rot. Bonds3

About 3,3-diethyl-1-(6-methyl-3-pyridinyl)azetidine-2,4-dione

3,3-diethyl-1-(6-methyl-3-pyridinyl)azetidine-2,4-dione (PubChem CID 44626812) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 3,3-diethyl-1-(6-methyl-3-pyridinyl)azetidine-2,4-dione.

Molecular Properties

Compound Name3,3-diethyl-1-(6-methyl-3-pyridinyl)azetidine-2,4-dione
PubChem CID44626812
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name3,3-diethyl-1-(6-methyl-3-pyridinyl)azetidine-2,4-dione
SMILESCCC1(CC)C(=O)N(c2ccc(C)nc2)C1=O
InChIInChI=1S/C13H16N2O2/c1-4-13(5-2)11(16)15(12(13)17)10-7-6-9(3)14-8-10/h6-8H,4-5H2,1-3H3
InChIKeyPFYCIJUQCNQGJE-UHFFFAOYSA-N
XLogP2.07
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,3-diethyl-1-(6-methyl-3-pyridinyl)azetidine-2,4-dione?
The IUPAC name of 3,3-diethyl-1-(6-methyl-3-pyridinyl)azetidine-2,4-dione (CID 44626812) is 3,3-diethyl-1-(6-methyl-3-pyridinyl)azetidine-2,4-dione.
What is the SMILES notation for 3,3-diethyl-1-(6-methyl-3-pyridinyl)azetidine-2,4-dione?
The canonical SMILES for 3,3-diethyl-1-(6-methyl-3-pyridinyl)azetidine-2,4-dione is CCC1(CC)C(=O)N(c2ccc(C)nc2)C1=O.
What is the InChIKey of 3,3-diethyl-1-(6-methyl-3-pyridinyl)azetidine-2,4-dione?
The InChIKey is PFYCIJUQCNQGJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-4-13(5-2)11(16)15(12(13)17)10-7-6-9(3)14-8-10/h6-8H,4-5H2,1-3H3.
What are the key properties of 3,3-diethyl-1-(6-methyl-3-pyridinyl)azetidine-2,4-dione?
3,3-diethyl-1-(6-methyl-3-pyridinyl)azetidine-2,4-dione has a molecular weight of 232.28 g/mol, XLogP of 2.07, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-diethyl-1-(6-methyl-3-pyridinyl)azetidine-2,4-dione is sourced from PubChem (CID 44626812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).