1-(6-methoxy-3-pyridinyl)imidazolidine-2,4-dione

C9H9N3O3 — CID 139347892

IUPAC1-(6-methoxy-3-pyridinyl)imidazolidine-2,4-dione
SMILESCOc1ccc(N2CC(=O)NC2=O)cn1
InChIInChI=1S/C9H9N3O3/c1-15-8-3-2-6(4-10-8)12-5-7(13)11-9(12)14/h2-4H,5H2,1H3,(H,11,13,14)
InChIKeyJADCHNGYHLRSFE-UHFFFAOYSA-N
MW207.19 g/mol
LogP0.15
Rot. Bonds2

About 1-(6-methoxy-3-pyridinyl)imidazolidine-2,4-dione

1-(6-methoxy-3-pyridinyl)imidazolidine-2,4-dione (PubChem CID 139347892) has the molecular formula C9H9N3O3 and a molecular weight of 207.19 g/mol. Its IUPAC name is 1-(6-methoxy-3-pyridinyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name1-(6-methoxy-3-pyridinyl)imidazolidine-2,4-dione
PubChem CID139347892
Molecular FormulaC9H9N3O3
Molecular Weight207.19 g/mol
Exact Mass207.06
IUPAC Name1-(6-methoxy-3-pyridinyl)imidazolidine-2,4-dione
SMILESCOc1ccc(N2CC(=O)NC2=O)cn1
InChIInChI=1S/C9H9N3O3/c1-15-8-3-2-6(4-10-8)12-5-7(13)11-9(12)14/h2-4H,5H2,1H3,(H,11,13,14)
InChIKeyJADCHNGYHLRSFE-UHFFFAOYSA-N
XLogP0.15
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.19
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxy-3-pyridinyl)imidazolidine-2,4-dione?
The IUPAC name of 1-(6-methoxy-3-pyridinyl)imidazolidine-2,4-dione (CID 139347892) is 1-(6-methoxy-3-pyridinyl)imidazolidine-2,4-dione.
What is the SMILES notation for 1-(6-methoxy-3-pyridinyl)imidazolidine-2,4-dione?
The canonical SMILES for 1-(6-methoxy-3-pyridinyl)imidazolidine-2,4-dione is COc1ccc(N2CC(=O)NC2=O)cn1.
What is the InChIKey of 1-(6-methoxy-3-pyridinyl)imidazolidine-2,4-dione?
The InChIKey is JADCHNGYHLRSFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O3/c1-15-8-3-2-6(4-10-8)12-5-7(13)11-9(12)14/h2-4H,5H2,1H3,(H,11,13,14).
What are the key properties of 1-(6-methoxy-3-pyridinyl)imidazolidine-2,4-dione?
1-(6-methoxy-3-pyridinyl)imidazolidine-2,4-dione has a molecular weight of 207.19 g/mol, XLogP of 0.15, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methoxy-3-pyridinyl)imidazolidine-2,4-dione is sourced from PubChem (CID 139347892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).