1-(1-pyridin-3-ylindol-3-yl)pyrrole-2,5-dione

C17H11N3O2 — CID 69214784

IUPAC1-(1-pyridin-3-ylindol-3-yl)pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1c1cn(-c2cccnc2)c2ccccc12
InChIInChI=1S/C17H11N3O2/c21-16-7-8-17(22)20(16)15-11-19(12-4-3-9-18-10-12)14-6-2-1-5-13(14)15/h1-11H
InChIKeyQGRHPYBCCXMMCV-UHFFFAOYSA-N
MW289.29 g/mol
LogP2.45
Rot. Bonds2

About 1-(1-pyridin-3-ylindol-3-yl)pyrrole-2,5-dione

1-(1-pyridin-3-ylindol-3-yl)pyrrole-2,5-dione (PubChem CID 69214784) has the molecular formula C17H11N3O2 and a molecular weight of 289.29 g/mol. Its IUPAC name is 1-(1-pyridin-3-ylindol-3-yl)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-(1-pyridin-3-ylindol-3-yl)pyrrole-2,5-dione
PubChem CID69214784
Molecular FormulaC17H11N3O2
Molecular Weight289.29 g/mol
Exact Mass289.09
IUPAC Name1-(1-pyridin-3-ylindol-3-yl)pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1c1cn(-c2cccnc2)c2ccccc12
InChIInChI=1S/C17H11N3O2/c21-16-7-8-17(22)20(16)15-11-19(12-4-3-9-18-10-12)14-6-2-1-5-13(14)15/h1-11H
InChIKeyQGRHPYBCCXMMCV-UHFFFAOYSA-N
XLogP2.45
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-pyridin-3-ylindole-3-carboxylic acid;bis(2,2,2-trifluoroacetic acid)
CID 160804799
2-[4-[2,5-dioxo-4-(1-pyridin-3-ylindol-3-yl)pyrrol-3-yl]-1H-pyrrol-2-yl]-2-oxoacetaldehyde
CID 174455399
2-methoxy-5-(1-pyridin-3-ylindol-3-yl)pent-1-en-1-one
CID 88722594
1-pyridin-3-ylpyrrolidine-2,5-dione
CID 2737832
5-pyridin-3-ylpyrido[3,2-b]indole
CID 59459758
4-methyl-2-pyridin-3-ylpyrrolo[3,4-c]quinoline-1,3-dione
CID 22422576
ethyl (E)-2-methyl-5-(1-pyridin-3-ylindol-3-yl)pent-2-enoate
CID 70489157
3-[1-(2-hydroxyethyl)-3H-indol-1-ium-3-yl]-4-(1-pyridin-3-ylindol-3-yl)pyrrole-2,5-dione
CID 23591432
5-pyridin-3-ylbenzo[b]carbazole
CID 122464099
5-hydroxy-3-pyridin-3-yl-1H-imidazol-2-one
CID 57110484
methane;1-phenylpyrrole-2,5-dione
CID 174935875
3-iodo-9-pyridin-3-ylcarbazole
CID 156633056

Frequently Asked Questions

What is the IUPAC name of 1-(1-pyridin-3-ylindol-3-yl)pyrrole-2,5-dione?
The IUPAC name of 1-(1-pyridin-3-ylindol-3-yl)pyrrole-2,5-dione (CID 69214784) is 1-(1-pyridin-3-ylindol-3-yl)pyrrole-2,5-dione.
What is the SMILES notation for 1-(1-pyridin-3-ylindol-3-yl)pyrrole-2,5-dione?
The canonical SMILES for 1-(1-pyridin-3-ylindol-3-yl)pyrrole-2,5-dione is O=C1C=CC(=O)N1c1cn(-c2cccnc2)c2ccccc12.
What is the InChIKey of 1-(1-pyridin-3-ylindol-3-yl)pyrrole-2,5-dione?
The InChIKey is QGRHPYBCCXMMCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11N3O2/c21-16-7-8-17(22)20(16)15-11-19(12-4-3-9-18-10-12)14-6-2-1-5-13(14)15/h1-11H.
What are the key properties of 1-(1-pyridin-3-ylindol-3-yl)pyrrole-2,5-dione?
1-(1-pyridin-3-ylindol-3-yl)pyrrole-2,5-dione has a molecular weight of 289.29 g/mol, XLogP of 2.45, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-pyridin-3-ylindol-3-yl)pyrrole-2,5-dione is sourced from PubChem (CID 69214784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).