5-(pyridin-3-ylmethylidene)imidazolidine-2,4-dione

C9H7N3O2 — CID 4532937

IUPAC5-(pyridin-3-ylmethylidene)imidazolidine-2,4-dione
SMILESO=C1NC(=O)C(=Cc2cccnc2)N1
InChIInChI=1S/C9H7N3O2/c13-8-7(11-9(14)12-8)4-6-2-1-3-10-5-6/h1-5H,(H2,11,12,13,14)
InChIKeyNDGOFGJAUMKSDQ-UHFFFAOYSA-N
MW189.17 g/mol
LogP0.26
Rot. Bonds1

About 5-(pyridin-3-ylmethylidene)imidazolidine-2,4-dione

5-(pyridin-3-ylmethylidene)imidazolidine-2,4-dione (PubChem CID 4532937) has the molecular formula C9H7N3O2 and a molecular weight of 189.17 g/mol. Its IUPAC name is 5-(pyridin-3-ylmethylidene)imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-(pyridin-3-ylmethylidene)imidazolidine-2,4-dione
PubChem CID4532937
Molecular FormulaC9H7N3O2
Molecular Weight189.17 g/mol
Exact Mass189.05
IUPAC Name5-(pyridin-3-ylmethylidene)imidazolidine-2,4-dione
SMILESO=C1NC(=O)C(=Cc2cccnc2)N1
InChIInChI=1S/C9H7N3O2/c13-8-7(11-9(14)12-8)4-6-2-1-3-10-5-6/h1-5H,(H2,11,12,13,14)
InChIKeyNDGOFGJAUMKSDQ-UHFFFAOYSA-N
XLogP0.26
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.17
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(5E)-5-benzylideneimidazolidine-2,4-dione;ethane
CID 91247316
(5Z)-5-[(2,3,5,6-tetradeuterio(413C)cyclohexa-1,3,5-trien-1-yl)methylidene]imidazolidine-2,4-dione
CID 135043475
(5E)-5-[(2,5-dimethyl-1-pyridin-3-ylpyrrol-3-yl)methylidene]imidazolidine-2,4-dione
CID 714802
(5Z)-5-[(3-phenylphenyl)methylidene]imidazolidine-2,4-dione
CID 44590759
(5E)-5-[(4-aminophenyl)methylidene]imidazolidine-2,4-dione
CID 18345973
(5E)-5-[(4-hydroxyphenyl)methylidene]imidazolidine-2,4-dione
CID 727382
(5Z)-5-[(4-methylphenyl)methylidene]imidazolidine-2,4-dione
CID 697033
(4E)-2-pyridin-4-yl-4-(pyridin-3-ylmethylidene)-1H-imidazol-5-one
CID 136893246
4-(pyridin-3-ylmethylidene)-1,3-oxazol-5-one
CID 149162535
(5E)-5-[(3-nitrophenyl)methylidene]imidazolidine-2,4-dione
CID 5467828
(5E)-5-[(1-methylpyrazol-4-yl)methylidene]imidazolidine-2,4-dione
CID 17024892
(5Z)-5-[(1-methylpyrrol-3-yl)methylidene]imidazolidine-2,4-dione
CID 50853485

Frequently Asked Questions

What is the IUPAC name of 5-(pyridin-3-ylmethylidene)imidazolidine-2,4-dione?
The IUPAC name of 5-(pyridin-3-ylmethylidene)imidazolidine-2,4-dione (CID 4532937) is 5-(pyridin-3-ylmethylidene)imidazolidine-2,4-dione.
What is the SMILES notation for 5-(pyridin-3-ylmethylidene)imidazolidine-2,4-dione?
The canonical SMILES for 5-(pyridin-3-ylmethylidene)imidazolidine-2,4-dione is O=C1NC(=O)C(=Cc2cccnc2)N1.
What is the InChIKey of 5-(pyridin-3-ylmethylidene)imidazolidine-2,4-dione?
The InChIKey is NDGOFGJAUMKSDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N3O2/c13-8-7(11-9(14)12-8)4-6-2-1-3-10-5-6/h1-5H,(H2,11,12,13,14).
What are the key properties of 5-(pyridin-3-ylmethylidene)imidazolidine-2,4-dione?
5-(pyridin-3-ylmethylidene)imidazolidine-2,4-dione has a molecular weight of 189.17 g/mol, XLogP of 0.26, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(pyridin-3-ylmethylidene)imidazolidine-2,4-dione is sourced from PubChem (CID 4532937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).