5-pyridin-3-yl-1-(3-pyridin-3-ylpropyl)indole-2,3-dione

C21H17N3O2 — CID 71721859

IUPAC5-pyridin-3-yl-1-(3-pyridin-3-ylpropyl)indole-2,3-dione
SMILESO=C1C(=O)N(CCCc2cccnc2)c2ccc(-c3cccnc3)cc21
InChIInChI=1S/C21H17N3O2/c25-20-18-12-16(17-6-2-10-23-14-17)7-8-19(18)24(21(20)26)11-3-5-15-4-1-9-22-13-15/h1-2,4,6-10,12-14H,3,5,11H2
InChIKeyRVFYRQIXMRIXGR-UHFFFAOYSA-N
MW343.39 g/mol
LogP3.31
Rot. Bonds5

About 5-pyridin-3-yl-1-(3-pyridin-3-ylpropyl)indole-2,3-dione

5-pyridin-3-yl-1-(3-pyridin-3-ylpropyl)indole-2,3-dione (PubChem CID 71721859) has the molecular formula C21H17N3O2 and a molecular weight of 343.39 g/mol. Its IUPAC name is 5-pyridin-3-yl-1-(3-pyridin-3-ylpropyl)indole-2,3-dione.

Molecular Properties

Compound Name5-pyridin-3-yl-1-(3-pyridin-3-ylpropyl)indole-2,3-dione
PubChem CID71721859
Molecular FormulaC21H17N3O2
Molecular Weight343.39 g/mol
Exact Mass343.13
IUPAC Name5-pyridin-3-yl-1-(3-pyridin-3-ylpropyl)indole-2,3-dione
SMILESO=C1C(=O)N(CCCc2cccnc2)c2ccc(-c3cccnc3)cc21
InChIInChI=1S/C21H17N3O2/c25-20-18-12-16(17-6-2-10-23-14-17)7-8-19(18)24(21(20)26)11-3-5-15-4-1-9-22-13-15/h1-2,4,6-10,12-14H,3,5,11H2
InChIKeyRVFYRQIXMRIXGR-UHFFFAOYSA-N
XLogP3.31
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-pyridin-3-yl-1-(3-pyridin-3-ylpropyl)indole-2,3-dione?
The IUPAC name of 5-pyridin-3-yl-1-(3-pyridin-3-ylpropyl)indole-2,3-dione (CID 71721859) is 5-pyridin-3-yl-1-(3-pyridin-3-ylpropyl)indole-2,3-dione.
What is the SMILES notation for 5-pyridin-3-yl-1-(3-pyridin-3-ylpropyl)indole-2,3-dione?
The canonical SMILES for 5-pyridin-3-yl-1-(3-pyridin-3-ylpropyl)indole-2,3-dione is O=C1C(=O)N(CCCc2cccnc2)c2ccc(-c3cccnc3)cc21.
What is the InChIKey of 5-pyridin-3-yl-1-(3-pyridin-3-ylpropyl)indole-2,3-dione?
The InChIKey is RVFYRQIXMRIXGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O2/c25-20-18-12-16(17-6-2-10-23-14-17)7-8-19(18)24(21(20)26)11-3-5-15-4-1-9-22-13-15/h1-2,4,6-10,12-14H,3,5,11H2.
What are the key properties of 5-pyridin-3-yl-1-(3-pyridin-3-ylpropyl)indole-2,3-dione?
5-pyridin-3-yl-1-(3-pyridin-3-ylpropyl)indole-2,3-dione has a molecular weight of 343.39 g/mol, XLogP of 3.31, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyridin-3-yl-1-(3-pyridin-3-ylpropyl)indole-2,3-dione is sourced from PubChem (CID 71721859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).