3'-[2-oxo-2-(2-pyridin-4-ylpyrrolidin-1-yl)ethyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione

C23H24N4O3 — CID 24631472

IUPAC3'-[2-oxo-2-(2-pyridin-4-ylpyrrolidin-1-yl)ethyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
SMILESO=C1NC2(CCCc3ccccc32)C(=O)N1CC(=O)N1CCCC1c1ccncc1
InChIInChI=1S/C23H24N4O3/c28-20(26-14-4-8-19(26)17-9-12-24-13-10-17)15-27-21(29)23(25-22(27)30)11-3-6-16-5-1-2-7-18(16)23/h1-2,5,7,9-10,12-13,19H,3-4,6,8,11,14-15H2,(H,25,30)
InChIKeyQBJAASYHNHTKCK-UHFFFAOYSA-N
MW404.47 g/mol
LogP2.53
Rot. Bonds3

About 3'-[2-oxo-2-(2-pyridin-4-ylpyrrolidin-1-yl)ethyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione

3'-[2-oxo-2-(2-pyridin-4-ylpyrrolidin-1-yl)ethyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione (PubChem CID 24631472) has the molecular formula C23H24N4O3 and a molecular weight of 404.47 g/mol. Its IUPAC name is 3'-[2-oxo-2-(2-pyridin-4-ylpyrrolidin-1-yl)ethyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione.

Molecular Properties

Compound Name3'-[2-oxo-2-(2-pyridin-4-ylpyrrolidin-1-yl)ethyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
PubChem CID24631472
Molecular FormulaC23H24N4O3
Molecular Weight404.47 g/mol
Exact Mass404.18
IUPAC Name3'-[2-oxo-2-(2-pyridin-4-ylpyrrolidin-1-yl)ethyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
SMILESO=C1NC2(CCCc3ccccc32)C(=O)N1CC(=O)N1CCCC1c1ccncc1
InChIInChI=1S/C23H24N4O3/c28-20(26-14-4-8-19(26)17-9-12-24-13-10-17)15-27-21(29)23(25-22(27)30)11-3-6-16-5-1-2-7-18(16)23/h1-2,5,7,9-10,12-13,19H,3-4,6,8,11,14-15H2,(H,25,30)
InChIKeyQBJAASYHNHTKCK-UHFFFAOYSA-N
XLogP2.53
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(4S)-3'-[2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
CID 41041216
(4R)-3'-[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
CID 7240524
(4S)-3'-[2-(azepan-1-yl)-2-oxoethyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
CID 2705993
(4R)-3'-(2-oxo-2-piperidin-1-ylethyl)spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
CID 2706127
2-[(4S)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]acetamide
CID 2705974
(4R)-3'-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
CID 2464913
(4R)-3'-[2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-2-oxoethyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
CID 11925713
5-methyl-5-(4-methylphenyl)-3-[2-oxo-2-(2-pyridin-4-ylpyrrolidin-1-yl)ethyl]imidazolidine-2,4-dione
CID 43048123
(5S)-3'-[2-(azepan-1-yl)-2-oxoethyl]spiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,5'-imidazolidine]-2',4'-dione
CID 41138995
(3S)-3'-(2-oxo-2-piperidin-1-ylethyl)spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
CID 2702948
3'-(3,3-dimethyl-2-oxobutyl)spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
CID 4810139
2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)-N-methoxyacetamide
CID 42925453

Frequently Asked Questions

What is the IUPAC name of 3'-[2-oxo-2-(2-pyridin-4-ylpyrrolidin-1-yl)ethyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione?
The IUPAC name of 3'-[2-oxo-2-(2-pyridin-4-ylpyrrolidin-1-yl)ethyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione (CID 24631472) is 3'-[2-oxo-2-(2-pyridin-4-ylpyrrolidin-1-yl)ethyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione.
What is the SMILES notation for 3'-[2-oxo-2-(2-pyridin-4-ylpyrrolidin-1-yl)ethyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione?
The canonical SMILES for 3'-[2-oxo-2-(2-pyridin-4-ylpyrrolidin-1-yl)ethyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione is O=C1NC2(CCCc3ccccc32)C(=O)N1CC(=O)N1CCCC1c1ccncc1.
What is the InChIKey of 3'-[2-oxo-2-(2-pyridin-4-ylpyrrolidin-1-yl)ethyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione?
The InChIKey is QBJAASYHNHTKCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O3/c28-20(26-14-4-8-19(26)17-9-12-24-13-10-17)15-27-21(29)23(25-22(27)30)11-3-6-16-5-1-2-7-18(16)23/h1-2,5,7,9-10,12-13,19H,3-4,6,8,11,14-15H2,(H,25,30).
What are the key properties of 3'-[2-oxo-2-(2-pyridin-4-ylpyrrolidin-1-yl)ethyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione?
3'-[2-oxo-2-(2-pyridin-4-ylpyrrolidin-1-yl)ethyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione has a molecular weight of 404.47 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3'-[2-oxo-2-(2-pyridin-4-ylpyrrolidin-1-yl)ethyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione is sourced from PubChem (CID 24631472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).