(5E)-5-[(6-methoxy-3-pyridinyl)methylidene]imidazolidine-2,4-dione

C10H9N3O3 — CID 122186473

IUPAC(5E)-5-[(6-methoxy-3-pyridinyl)methylidene]imidazolidine-2,4-dione
SMILESCOc1ccc(/C=C2/NC(=O)NC2=O)cn1
InChIInChI=1S/C10H9N3O3/c1-16-8-3-2-6(5-11-8)4-7-9(14)13-10(15)12-7/h2-5H,1H3,(H2,12,13,14,15)/b7-4+
InChIKeyLIAACNJALSXRCE-QPJJXVBHSA-N
MW219.20 g/mol
LogP0.27
Rot. Bonds2

About (5E)-5-[(6-methoxy-3-pyridinyl)methylidene]imidazolidine-2,4-dione

(5E)-5-[(6-methoxy-3-pyridinyl)methylidene]imidazolidine-2,4-dione (PubChem CID 122186473) has the molecular formula C10H9N3O3 and a molecular weight of 219.20 g/mol. Its IUPAC name is (5E)-5-[(6-methoxy-3-pyridinyl)methylidene]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-5-[(6-methoxy-3-pyridinyl)methylidene]imidazolidine-2,4-dione
PubChem CID122186473
Molecular FormulaC10H9N3O3
Molecular Weight219.20 g/mol
Exact Mass219.06
IUPAC Name(5E)-5-[(6-methoxy-3-pyridinyl)methylidene]imidazolidine-2,4-dione
SMILESCOc1ccc(/C=C2/NC(=O)NC2=O)cn1
InChIInChI=1S/C10H9N3O3/c1-16-8-3-2-6(5-11-8)4-7-9(14)13-10(15)12-7/h2-5H,1H3,(H2,12,13,14,15)/b7-4+
InChIKeyLIAACNJALSXRCE-QPJJXVBHSA-N
XLogP0.27
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.20
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (5E)-5-[(6-methoxy-3-pyridinyl)methylidene]imidazolidine-2,4-dione with MolForge

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Related Compounds

(5Z)-5-[(4-methylphenyl)methylidene]imidazolidine-2,4-dione
CID 697033
(5Z)-5-[(4-propoxyphenyl)methylidene]imidazolidine-2,4-dione
CID 11253625
6-methoxypyridine-3-carbaldehyde
CID 3364576
5-(pyridin-3-ylmethylidene)imidazolidine-2,4-dione
CID 4532937
(5E)-5-[(3,4,5-trimethoxyphenyl)methylidene]imidazolidine-2,4-dione
CID 760516
(5E)-5-benzylideneimidazolidine-2,4-dione;ethane
CID 91247316
(5E)-5-[(4-hydroxyphenyl)methylidene]imidazolidine-2,4-dione
CID 727382
(3E,5E)-3,5-bis[(6-methoxy-3-pyridinyl)methylidene]-1-methylpiperidin-4-one
CID 156783573
(5E)-5-[(3-methoxy-4-phenylphenyl)methylidene]imidazolidine-2,4-dione
CID 24752455
[4-[(2,5-dioxoimidazolidin-4-ylidene)methyl]-2-methoxyphenyl] acetate
CID 54271325
(5Z)-5-[(1-methylpyrrol-3-yl)methylidene]imidazolidine-2,4-dione
CID 50853485
5-[(2,5-dimethoxyphenyl)methylidene]imidazolidine-2,4-dione
CID 2848836

Frequently Asked Questions

What is the IUPAC name of (5E)-5-[(6-methoxy-3-pyridinyl)methylidene]imidazolidine-2,4-dione?
The IUPAC name of (5E)-5-[(6-methoxy-3-pyridinyl)methylidene]imidazolidine-2,4-dione (CID 122186473) is (5E)-5-[(6-methoxy-3-pyridinyl)methylidene]imidazolidine-2,4-dione.
What is the SMILES notation for (5E)-5-[(6-methoxy-3-pyridinyl)methylidene]imidazolidine-2,4-dione?
The canonical SMILES for (5E)-5-[(6-methoxy-3-pyridinyl)methylidene]imidazolidine-2,4-dione is COc1ccc(/C=C2/NC(=O)NC2=O)cn1.
What is the InChIKey of (5E)-5-[(6-methoxy-3-pyridinyl)methylidene]imidazolidine-2,4-dione?
The InChIKey is LIAACNJALSXRCE-QPJJXVBHSA-N. The full InChI is InChI=1S/C10H9N3O3/c1-16-8-3-2-6(5-11-8)4-7-9(14)13-10(15)12-7/h2-5H,1H3,(H2,12,13,14,15)/b7-4+.
What are the key properties of (5E)-5-[(6-methoxy-3-pyridinyl)methylidene]imidazolidine-2,4-dione?
(5E)-5-[(6-methoxy-3-pyridinyl)methylidene]imidazolidine-2,4-dione has a molecular weight of 219.20 g/mol, XLogP of 0.27, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[(6-methoxy-3-pyridinyl)methylidene]imidazolidine-2,4-dione is sourced from PubChem (CID 122186473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).