2-[3-oxo-3-(2-pyridin-3-ylpyrrolidin-1-yl)propyl]isoindole-1,3-dione

C20H19N3O3 — CID 42921889

IUPAC2-[3-oxo-3-(2-pyridin-3-ylpyrrolidin-1-yl)propyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CCC(=O)N1CCCC1c1cccnc1
InChIInChI=1S/C20H19N3O3/c24-18(22-11-4-8-17(22)14-5-3-10-21-13-14)9-12-23-19(25)15-6-1-2-7-16(15)20(23)26/h1-3,5-7,10,13,17H,4,8-9,11-12H2
InChIKeyLXVUJKCWWCSFEN-UHFFFAOYSA-N
MW349.39 g/mol
LogP2.43
Rot. Bonds4

About 2-[3-oxo-3-(2-pyridin-3-ylpyrrolidin-1-yl)propyl]isoindole-1,3-dione

2-[3-oxo-3-(2-pyridin-3-ylpyrrolidin-1-yl)propyl]isoindole-1,3-dione (PubChem CID 42921889) has the molecular formula C20H19N3O3 and a molecular weight of 349.39 g/mol. Its IUPAC name is 2-[3-oxo-3-(2-pyridin-3-ylpyrrolidin-1-yl)propyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[3-oxo-3-(2-pyridin-3-ylpyrrolidin-1-yl)propyl]isoindole-1,3-dione
PubChem CID42921889
Molecular FormulaC20H19N3O3
Molecular Weight349.39 g/mol
Exact Mass349.14
IUPAC Name2-[3-oxo-3-(2-pyridin-3-ylpyrrolidin-1-yl)propyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CCC(=O)N1CCCC1c1cccnc1
InChIInChI=1S/C20H19N3O3/c24-18(22-11-4-8-17(22)14-5-3-10-21-13-14)9-12-23-19(25)15-6-1-2-7-16(15)20(23)26/h1-3,5-7,10,13,17H,4,8-9,11-12H2
InChIKeyLXVUJKCWWCSFEN-UHFFFAOYSA-N
XLogP2.43
TPSA70.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 52.43
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

2-[3-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-3-oxopropyl]isoindole-1,3-dione
CID 86888161
2-[4-oxo-4-(2-pyridin-3-ylpiperidin-1-yl)butyl]-3H-isoindol-1-one
CID 162873418
2-chloro-1-[(2R)-2-pyridin-3-ylpyrrolidin-1-yl]ethanone
CID 14619396
2-[6-oxo-6-(2-pyridin-3-ylpiperidin-1-yl)hexyl]-3H-isoindol-1-one
CID 163091613
2-[[(2S)-2-pyridin-3-ylpyrrolidin-1-yl]methyl]isoindole-1,3-dione
CID 51644910
6-amino-1-(2-pyridin-3-ylpyrrolidin-1-yl)hexan-1-one
CID 43579466
4-hydroxy-1-(2-pyridin-3-ylpyrrolidin-1-yl)pentan-1-one
CID 14233094
3-(oxazinan-2-yl)-1-(2-pyridin-3-ylpiperidin-1-yl)propan-1-one
CID 47000546
(5E)-3-[3-oxo-3-[(2R)-2-pyridin-3-ylpiperidin-1-yl]propyl]-5-[(E)-3-phenylprop-2-enylidene]-1,3-thiazolidine-2,4-dione
CID 40971652
4-oxo-4-(2-pyridin-3-ylpiperidin-1-yl)butanoic acid;hydrochloride
CID 52993705
3-(2-aminophenyl)-1-(2-pyridin-3-ylpyrrolidin-1-yl)propan-1-one;hydrochloride
CID 120613570
1-[(2S)-2-pyridin-3-ylpiperidin-1-yl]pentan-1-one
CID 3046833

Frequently Asked Questions

What is the IUPAC name of 2-[3-oxo-3-(2-pyridin-3-ylpyrrolidin-1-yl)propyl]isoindole-1,3-dione?
The IUPAC name of 2-[3-oxo-3-(2-pyridin-3-ylpyrrolidin-1-yl)propyl]isoindole-1,3-dione (CID 42921889) is 2-[3-oxo-3-(2-pyridin-3-ylpyrrolidin-1-yl)propyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[3-oxo-3-(2-pyridin-3-ylpyrrolidin-1-yl)propyl]isoindole-1,3-dione?
The canonical SMILES for 2-[3-oxo-3-(2-pyridin-3-ylpyrrolidin-1-yl)propyl]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1CCC(=O)N1CCCC1c1cccnc1.
What is the InChIKey of 2-[3-oxo-3-(2-pyridin-3-ylpyrrolidin-1-yl)propyl]isoindole-1,3-dione?
The InChIKey is LXVUJKCWWCSFEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3/c24-18(22-11-4-8-17(22)14-5-3-10-21-13-14)9-12-23-19(25)15-6-1-2-7-16(15)20(23)26/h1-3,5-7,10,13,17H,4,8-9,11-12H2.
What are the key properties of 2-[3-oxo-3-(2-pyridin-3-ylpyrrolidin-1-yl)propyl]isoindole-1,3-dione?
2-[3-oxo-3-(2-pyridin-3-ylpyrrolidin-1-yl)propyl]isoindole-1,3-dione has a molecular weight of 349.39 g/mol, XLogP of 2.43, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-oxo-3-(2-pyridin-3-ylpyrrolidin-1-yl)propyl]isoindole-1,3-dione is sourced from PubChem (CID 42921889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).