3-(2-hydroxy-1,3-diphenyl-1,3,2-diazaphospholidin-2-ium-2-yl)-1-pyridin-3-ylpyrrolidine-2,5-dione

C23H22N4O3P+ — CID 134262810

IUPAC3-(2-hydroxy-1,3-diphenyl-1,3,2-diazaphospholidin-2-ium-2-yl)-1-pyridin-3-ylpyrrolidine-2,5-dione
SMILESO=C1CC([P+]2(O)N(c3ccccc3)CCN2c2ccccc2)C(=O)N1c1cccnc1
InChIInChI=1S/C23H22N4O3P/c28-22-16-21(23(29)27(22)20-12-7-13-24-17-20)31(30)25(18-8-3-1-4-9-18)14-15-26(31)19-10-5-2-6-11-19/h1-13,17,21,30H,14-16H2/q+1
InChIKeyGJBRECFREOMIMB-UHFFFAOYSA-N
MW433.43 g/mol
LogP3.50
Rot. Bonds4

About 3-(2-hydroxy-1,3-diphenyl-1,3,2-diazaphospholidin-2-ium-2-yl)-1-pyridin-3-ylpyrrolidine-2,5-dione

3-(2-hydroxy-1,3-diphenyl-1,3,2-diazaphospholidin-2-ium-2-yl)-1-pyridin-3-ylpyrrolidine-2,5-dione (PubChem CID 134262810) has the molecular formula C23H22N4O3P+ and a molecular weight of 433.43 g/mol. Its IUPAC name is 3-(2-hydroxy-1,3-diphenyl-1,3,2-diazaphospholidin-2-ium-2-yl)-1-pyridin-3-ylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(2-hydroxy-1,3-diphenyl-1,3,2-diazaphospholidin-2-ium-2-yl)-1-pyridin-3-ylpyrrolidine-2,5-dione
PubChem CID134262810
Molecular FormulaC23H22N4O3P+
Molecular Weight433.43 g/mol
Exact Mass433.14
IUPAC Name3-(2-hydroxy-1,3-diphenyl-1,3,2-diazaphospholidin-2-ium-2-yl)-1-pyridin-3-ylpyrrolidine-2,5-dione
SMILESO=C1CC([P+]2(O)N(c3ccccc3)CCN2c2ccccc2)C(=O)N1c1cccnc1
InChIInChI=1S/C23H22N4O3P/c28-22-16-21(23(29)27(22)20-12-7-13-24-17-20)31(30)25(18-8-3-1-4-9-18)14-15-26(31)19-10-5-2-6-11-19/h1-13,17,21,30H,14-16H2/q+1
InChIKeyGJBRECFREOMIMB-UHFFFAOYSA-N
XLogP3.50
TPSA76.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.43
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-(4-fluorophenyl)-3-(2-hydroxy-1,3-diphenyl-1,3,2-diazaphospholidin-2-ium-2-yl)pyrrolidine-2,5-dione
CID 134262767
3-[2-hydroxy-1,3-bis(4-methylphenyl)-1,3,2-diazaphospholidin-2-ium-2-yl]-1-phenylpyrrolidine-2,5-dione
CID 134262848
1-pyridin-3-ylpyrrolidine-2,5-dione
CID 2737832
1-phenyl-3-pyridin-3-yl-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 12036393
(3aR,4R,7R,7aR)-4,7-diphenyl-2-pyridin-3-yl-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 6361795
5-pyridin-3-yl-2,3,3a,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-4,6-dione
CID 91809542
(2R,6S,8R,12S)-4,10-dipyridin-3-yl-4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradec-13-ene-3,5,9,11-tetrone
CID 7060312
(1R,8R,9S,13S)-11-pyridin-3-yl-11-azatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6-triene-10,12,14-trione
CID 124723609
2-pyridin-3-yl-3,4,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-1-one
CID 141312593
N'-[2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]pyridine-3-carbohydrazide
CID 3768777
N'-benzoyl-N'-[1-(3,4-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]pyridine-3-carbohydrazide
CID 4242541
2-[(4R)-2,5-dioxo-1-pyridin-3-ylimidazolidin-4-yl]acetic acid
CID 124848217

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxy-1,3-diphenyl-1,3,2-diazaphospholidin-2-ium-2-yl)-1-pyridin-3-ylpyrrolidine-2,5-dione?
The IUPAC name of 3-(2-hydroxy-1,3-diphenyl-1,3,2-diazaphospholidin-2-ium-2-yl)-1-pyridin-3-ylpyrrolidine-2,5-dione (CID 134262810) is 3-(2-hydroxy-1,3-diphenyl-1,3,2-diazaphospholidin-2-ium-2-yl)-1-pyridin-3-ylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-(2-hydroxy-1,3-diphenyl-1,3,2-diazaphospholidin-2-ium-2-yl)-1-pyridin-3-ylpyrrolidine-2,5-dione?
The canonical SMILES for 3-(2-hydroxy-1,3-diphenyl-1,3,2-diazaphospholidin-2-ium-2-yl)-1-pyridin-3-ylpyrrolidine-2,5-dione is O=C1CC([P+]2(O)N(c3ccccc3)CCN2c2ccccc2)C(=O)N1c1cccnc1.
What is the InChIKey of 3-(2-hydroxy-1,3-diphenyl-1,3,2-diazaphospholidin-2-ium-2-yl)-1-pyridin-3-ylpyrrolidine-2,5-dione?
The InChIKey is GJBRECFREOMIMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O3P/c28-22-16-21(23(29)27(22)20-12-7-13-24-17-20)31(30)25(18-8-3-1-4-9-18)14-15-26(31)19-10-5-2-6-11-19/h1-13,17,21,30H,14-16H2/q+1.
What are the key properties of 3-(2-hydroxy-1,3-diphenyl-1,3,2-diazaphospholidin-2-ium-2-yl)-1-pyridin-3-ylpyrrolidine-2,5-dione?
3-(2-hydroxy-1,3-diphenyl-1,3,2-diazaphospholidin-2-ium-2-yl)-1-pyridin-3-ylpyrrolidine-2,5-dione has a molecular weight of 433.43 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxy-1,3-diphenyl-1,3,2-diazaphospholidin-2-ium-2-yl)-1-pyridin-3-ylpyrrolidine-2,5-dione is sourced from PubChem (CID 134262810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).