1-[2-(diethylamino)ethyl]-5-pyridin-4-ylindole-2,3-dione

C19H21N3O2 — CID 13037194

IUPAC1-[2-(diethylamino)ethyl]-5-pyridin-4-ylindole-2,3-dione
SMILESCCN(CC)CCN1C(=O)C(=O)c2cc(-c3ccncc3)ccc21
InChIInChI=1S/C19H21N3O2/c1-3-21(4-2)11-12-22-17-6-5-15(14-7-9-20-10-8-14)13-16(17)18(23)19(22)24/h5-10,13H,3-4,11-12H2,1-2H3
InChIKeyRLZNVGKMKVICKD-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.62
Rot. Bonds6

About 1-[2-(diethylamino)ethyl]-5-pyridin-4-ylindole-2,3-dione

1-[2-(diethylamino)ethyl]-5-pyridin-4-ylindole-2,3-dione (PubChem CID 13037194) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is 1-[2-(diethylamino)ethyl]-5-pyridin-4-ylindole-2,3-dione.

Molecular Properties

Compound Name1-[2-(diethylamino)ethyl]-5-pyridin-4-ylindole-2,3-dione
PubChem CID13037194
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name1-[2-(diethylamino)ethyl]-5-pyridin-4-ylindole-2,3-dione
SMILESCCN(CC)CCN1C(=O)C(=O)c2cc(-c3ccncc3)ccc21
InChIInChI=1S/C19H21N3O2/c1-3-21(4-2)11-12-22-17-6-5-15(14-7-9-20-10-8-14)13-16(17)18(23)19(22)24/h5-10,13H,3-4,11-12H2,1-2H3
InChIKeyRLZNVGKMKVICKD-UHFFFAOYSA-N
XLogP2.62
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.62
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 1-[2-(diethylamino)ethyl]-5-pyridin-4-ylindole-2,3-dione?
The IUPAC name of 1-[2-(diethylamino)ethyl]-5-pyridin-4-ylindole-2,3-dione (CID 13037194) is 1-[2-(diethylamino)ethyl]-5-pyridin-4-ylindole-2,3-dione.
What is the SMILES notation for 1-[2-(diethylamino)ethyl]-5-pyridin-4-ylindole-2,3-dione?
The canonical SMILES for 1-[2-(diethylamino)ethyl]-5-pyridin-4-ylindole-2,3-dione is CCN(CC)CCN1C(=O)C(=O)c2cc(-c3ccncc3)ccc21.
What is the InChIKey of 1-[2-(diethylamino)ethyl]-5-pyridin-4-ylindole-2,3-dione?
The InChIKey is RLZNVGKMKVICKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-3-21(4-2)11-12-22-17-6-5-15(14-7-9-20-10-8-14)13-16(17)18(23)19(22)24/h5-10,13H,3-4,11-12H2,1-2H3.
What are the key properties of 1-[2-(diethylamino)ethyl]-5-pyridin-4-ylindole-2,3-dione?
1-[2-(diethylamino)ethyl]-5-pyridin-4-ylindole-2,3-dione has a molecular weight of 323.40 g/mol, XLogP of 2.62, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(diethylamino)ethyl]-5-pyridin-4-ylindole-2,3-dione is sourced from PubChem (CID 13037194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).