3-(2-pyridin-2-ylethenyl)-1H-1,8-naphthyridine-2,4-dione

C15H11N3O2 — CID 4105826

IUPAC3-(2-pyridin-2-ylethenyl)-1H-1,8-naphthyridine-2,4-dione
SMILESO=C1Nc2ncccc2C(=O)C1C=Cc1ccccn1
InChIInChI=1S/C15H11N3O2/c19-13-11-5-3-9-17-14(11)18-15(20)12(13)7-6-10-4-1-2-8-16-10/h1-9,12H,(H,17,18,20)
InChIKeyVTKXHCFMEDWAGA-UHFFFAOYSA-N
MW265.27 g/mol
LogP1.94
Rot. Bonds2

About 3-(2-pyridin-2-ylethenyl)-1H-1,8-naphthyridine-2,4-dione

3-(2-pyridin-2-ylethenyl)-1H-1,8-naphthyridine-2,4-dione (PubChem CID 4105826) has the molecular formula C15H11N3O2 and a molecular weight of 265.27 g/mol. Its IUPAC name is 3-(2-pyridin-2-ylethenyl)-1H-1,8-naphthyridine-2,4-dione.

Molecular Properties

Compound Name3-(2-pyridin-2-ylethenyl)-1H-1,8-naphthyridine-2,4-dione
PubChem CID4105826
Molecular FormulaC15H11N3O2
Molecular Weight265.27 g/mol
Exact Mass265.09
IUPAC Name3-(2-pyridin-2-ylethenyl)-1H-1,8-naphthyridine-2,4-dione
SMILESO=C1Nc2ncccc2C(=O)C1C=Cc1ccccn1
InChIInChI=1S/C15H11N3O2/c19-13-11-5-3-9-17-14(11)18-15(20)12(13)7-6-10-4-1-2-8-16-10/h1-9,12H,(H,17,18,20)
InChIKeyVTKXHCFMEDWAGA-UHFFFAOYSA-N
XLogP1.94
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-(2-pyridin-2-ylethenyl)-1H-1,8-naphthyridine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-pyridin-2-ylethenyl)pyridine
CID 161029843
(2Z)-2-(pyridin-2-ylmethylidene)-1-benzothiophen-3-one
CID 155262579
3-(pyridin-2-ylmethylidene)pyrrolidine-2,5-dione
CID 76657528
7,9-dihydro-6H-pyrido[2,3-b]azepine-5,8-dione
CID 55255707
5,8-dioxo-7,9-dihydro-6H-pyrido[2,3-b]azepine-6-carboxylic acid
CID 123452794
(2E)-5-pyridin-2-ylpenta-2,4-dienal
CID 87959329
2-sulfanylidene-3,4-dihydro-1H-pyrido[2,3-e][1,2,4]triazepin-5-one
CID 11819943
acetylene;5-[(5Z)-hepta-2,5-dien-4-yl]-8-methyl-3-(2-pyridin-2-ylethenyl)-3,6,7,9-tetrahydro-1H-pyrrolo[3,2-h]isoquinolin-2-one
CID 143553100
2-imino-5-(pyridin-2-ylmethylidene)-1,3-thiazolidin-4-one
CID 171128800
3-amino-3-phenyl-1H-1,8-naphthyridine-2,4-dione
CID 90480354
(3E)-3-(pyridin-2-ylmethylidene)piperidin-2-one
CID 141437011
3-(pyridin-2-ylmethylidene)-1-benzofuran-2-one
CID 71342669

Frequently Asked Questions

What is the IUPAC name of 3-(2-pyridin-2-ylethenyl)-1H-1,8-naphthyridine-2,4-dione?
The IUPAC name of 3-(2-pyridin-2-ylethenyl)-1H-1,8-naphthyridine-2,4-dione (CID 4105826) is 3-(2-pyridin-2-ylethenyl)-1H-1,8-naphthyridine-2,4-dione.
What is the SMILES notation for 3-(2-pyridin-2-ylethenyl)-1H-1,8-naphthyridine-2,4-dione?
The canonical SMILES for 3-(2-pyridin-2-ylethenyl)-1H-1,8-naphthyridine-2,4-dione is O=C1Nc2ncccc2C(=O)C1C=Cc1ccccn1.
What is the InChIKey of 3-(2-pyridin-2-ylethenyl)-1H-1,8-naphthyridine-2,4-dione?
The InChIKey is VTKXHCFMEDWAGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O2/c19-13-11-5-3-9-17-14(11)18-15(20)12(13)7-6-10-4-1-2-8-16-10/h1-9,12H,(H,17,18,20).
What are the key properties of 3-(2-pyridin-2-ylethenyl)-1H-1,8-naphthyridine-2,4-dione?
3-(2-pyridin-2-ylethenyl)-1H-1,8-naphthyridine-2,4-dione has a molecular weight of 265.27 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-pyridin-2-ylethenyl)-1H-1,8-naphthyridine-2,4-dione is sourced from PubChem (CID 4105826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).