3-[2-(2-azabicyclo[2.2.1]heptan-2-yl)-2-oxoethyl]-3-phenyl-1-(2-pyridin-2-ylethyl)pyrrolidine-2,5-dione

C25H27N3O3 — CID 45219975

IUPAC3-[2-(2-azabicyclo[2.2.1]heptan-2-yl)-2-oxoethyl]-3-phenyl-1-(2-pyridin-2-ylethyl)pyrrolidine-2,5-dione
SMILESO=C1CC(CC(=O)N2CC3CCC2C3)(c2ccccc2)C(=O)N1CCc1ccccn1
InChIInChI=1S/C25H27N3O3/c29-22-15-25(19-6-2-1-3-7-19,16-23(30)28-17-18-9-10-21(28)14-18)24(31)27(22)13-11-20-8-4-5-12-26-20/h1-8,12,18,21H,9-11,13-17H2
InChIKeyOGWJMUACOGBEPS-UHFFFAOYSA-N
MW417.51 g/mol
LogP2.72
Rot. Bonds6

About 3-[2-(2-azabicyclo[2.2.1]heptan-2-yl)-2-oxoethyl]-3-phenyl-1-(2-pyridin-2-ylethyl)pyrrolidine-2,5-dione

3-[2-(2-azabicyclo[2.2.1]heptan-2-yl)-2-oxoethyl]-3-phenyl-1-(2-pyridin-2-ylethyl)pyrrolidine-2,5-dione (PubChem CID 45219975) has the molecular formula C25H27N3O3 and a molecular weight of 417.51 g/mol. Its IUPAC name is 3-[2-(2-azabicyclo[2.2.1]heptan-2-yl)-2-oxoethyl]-3-phenyl-1-(2-pyridin-2-ylethyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-[2-(2-azabicyclo[2.2.1]heptan-2-yl)-2-oxoethyl]-3-phenyl-1-(2-pyridin-2-ylethyl)pyrrolidine-2,5-dione
PubChem CID45219975
Molecular FormulaC25H27N3O3
Molecular Weight417.51 g/mol
Exact Mass417.21
IUPAC Name3-[2-(2-azabicyclo[2.2.1]heptan-2-yl)-2-oxoethyl]-3-phenyl-1-(2-pyridin-2-ylethyl)pyrrolidine-2,5-dione
SMILESO=C1CC(CC(=O)N2CC3CCC2C3)(c2ccccc2)C(=O)N1CCc1ccccn1
InChIInChI=1S/C25H27N3O3/c29-22-15-25(19-6-2-1-3-7-19,16-23(30)28-17-18-9-10-21(28)14-18)24(31)27(22)13-11-20-8-4-5-12-26-20/h1-8,12,18,21H,9-11,13-17H2
InChIKeyOGWJMUACOGBEPS-UHFFFAOYSA-N
XLogP2.72
TPSA70.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 52.72
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

(3R)-3-[2-[(1S,4S)-2-azabicyclo[2.2.1]heptan-2-yl]-2-oxoethyl]-3-phenyl-1-(2-pyridin-2-ylethyl)pyrrolidine-2,5-dione
CID 98585583
3-[2-(2-azabicyclo[2.2.1]heptan-2-yl)-2-oxoethyl]-3-phenyl-1-(pyridin-4-ylmethyl)pyrrolidine-2,5-dione
CID 45194595
2-[(3R)-2,5-dioxo-3-phenyl-1-(2-pyridin-2-ylethyl)pyrrolidin-3-yl]acetic acid
CID 125170964
(3R)-3-[2-[(1S,4S)-2-azabicyclo[2.2.1]heptan-2-yl]-2-oxoethyl]-3-phenyl-1-(3-pyridin-3-yloxypropyl)pyrrolidine-2,5-dione
CID 98582039
3-[2-(2-methyl-4-phenylpiperazin-1-yl)-2-oxoethyl]-3-phenyl-1-(2-pyridin-2-ylethyl)pyrrolidine-2,5-dione
CID 118754742
3-[2-(6-azabicyclo[3.2.1]octan-6-yl)-2-oxoethyl]-3-phenyl-1-(pyridin-4-ylmethyl)pyrrolidine-2,5-dione
CID 45203976
(3S)-3-[2-[(2S)-2-(methoxymethyl)piperidin-1-yl]-2-oxoethyl]-3-phenyl-1-(2-pyridin-2-ylethyl)pyrrolidine-2,5-dione
CID 42429801
(3R)-3-[2-[(3S)-3,4-dimethylpiperazin-1-yl]-2-oxoethyl]-3-phenyl-1-(2-pyridin-2-ylethyl)pyrrolidine-2,5-dione
CID 29085729
(3S)-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-3-phenyl-1-(2-pyridin-2-ylethyl)pyrrolidine-2,5-dione
CID 42379886
ethyl 2-[(2S)-1-[2-[(3S)-2,5-dioxo-3-phenyl-1-(2-pyridin-2-ylethyl)pyrrolidin-3-yl]acetyl]piperidin-2-yl]acetate
CID 26359168
N-(dicyclopropylmethyl)-2-[(3S)-2,5-dioxo-3-phenyl-1-(2-pyridin-2-ylethyl)pyrrolidin-3-yl]-N-methylacetamide
CID 26278956
3-[2-(2-azabicyclo[2.2.1]heptan-2-yl)-2-oxoethyl]-3-(2-fluorophenyl)-1-(2-methoxyethyl)pyrrolidine-2,5-dione
CID 45182791

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-azabicyclo[2.2.1]heptan-2-yl)-2-oxoethyl]-3-phenyl-1-(2-pyridin-2-ylethyl)pyrrolidine-2,5-dione?
The IUPAC name of 3-[2-(2-azabicyclo[2.2.1]heptan-2-yl)-2-oxoethyl]-3-phenyl-1-(2-pyridin-2-ylethyl)pyrrolidine-2,5-dione (CID 45219975) is 3-[2-(2-azabicyclo[2.2.1]heptan-2-yl)-2-oxoethyl]-3-phenyl-1-(2-pyridin-2-ylethyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-[2-(2-azabicyclo[2.2.1]heptan-2-yl)-2-oxoethyl]-3-phenyl-1-(2-pyridin-2-ylethyl)pyrrolidine-2,5-dione?
The canonical SMILES for 3-[2-(2-azabicyclo[2.2.1]heptan-2-yl)-2-oxoethyl]-3-phenyl-1-(2-pyridin-2-ylethyl)pyrrolidine-2,5-dione is O=C1CC(CC(=O)N2CC3CCC2C3)(c2ccccc2)C(=O)N1CCc1ccccn1.
What is the InChIKey of 3-[2-(2-azabicyclo[2.2.1]heptan-2-yl)-2-oxoethyl]-3-phenyl-1-(2-pyridin-2-ylethyl)pyrrolidine-2,5-dione?
The InChIKey is OGWJMUACOGBEPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O3/c29-22-15-25(19-6-2-1-3-7-19,16-23(30)28-17-18-9-10-21(28)14-18)24(31)27(22)13-11-20-8-4-5-12-26-20/h1-8,12,18,21H,9-11,13-17H2.
What are the key properties of 3-[2-(2-azabicyclo[2.2.1]heptan-2-yl)-2-oxoethyl]-3-phenyl-1-(2-pyridin-2-ylethyl)pyrrolidine-2,5-dione?
3-[2-(2-azabicyclo[2.2.1]heptan-2-yl)-2-oxoethyl]-3-phenyl-1-(2-pyridin-2-ylethyl)pyrrolidine-2,5-dione has a molecular weight of 417.51 g/mol, XLogP of 2.72, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-azabicyclo[2.2.1]heptan-2-yl)-2-oxoethyl]-3-phenyl-1-(2-pyridin-2-ylethyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 45219975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).