3-methyl-3-[(2,3,4,5,6-pentamethylphenyl)methyl]-1-(pyridin-2-ylmethyl)pyrrolidine-2,5-dione

C23H28N2O2 — CID 135059093

IUPAC3-methyl-3-[(2,3,4,5,6-pentamethylphenyl)methyl]-1-(pyridin-2-ylmethyl)pyrrolidine-2,5-dione
SMILESCc1c(C)c(C)c(CC2(C)CC(=O)N(Cc3ccccn3)C2=O)c(C)c1C
InChIInChI=1S/C23H28N2O2/c1-14-15(2)17(4)20(18(5)16(14)3)11-23(6)12-21(26)25(22(23)27)13-19-9-7-8-10-24-19/h7-10H,11-13H2,1-6H3
InChIKeyJGUFSWBXIJLOAF-UHFFFAOYSA-N
MW364.49 g/mol
LogP4.13
Rot. Bonds4

About 3-methyl-3-[(2,3,4,5,6-pentamethylphenyl)methyl]-1-(pyridin-2-ylmethyl)pyrrolidine-2,5-dione

3-methyl-3-[(2,3,4,5,6-pentamethylphenyl)methyl]-1-(pyridin-2-ylmethyl)pyrrolidine-2,5-dione (PubChem CID 135059093) has the molecular formula C23H28N2O2 and a molecular weight of 364.49 g/mol. Its IUPAC name is 3-methyl-3-[(2,3,4,5,6-pentamethylphenyl)methyl]-1-(pyridin-2-ylmethyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-methyl-3-[(2,3,4,5,6-pentamethylphenyl)methyl]-1-(pyridin-2-ylmethyl)pyrrolidine-2,5-dione
PubChem CID135059093
Molecular FormulaC23H28N2O2
Molecular Weight364.49 g/mol
Exact Mass364.22
IUPAC Name3-methyl-3-[(2,3,4,5,6-pentamethylphenyl)methyl]-1-(pyridin-2-ylmethyl)pyrrolidine-2,5-dione
SMILESCc1c(C)c(C)c(CC2(C)CC(=O)N(Cc3ccccn3)C2=O)c(C)c1C
InChIInChI=1S/C23H28N2O2/c1-14-15(2)17(4)20(18(5)16(14)3)11-23(6)12-21(26)25(22(23)27)13-19-9-7-8-10-24-19/h7-10H,11-13H2,1-6H3
InChIKeyJGUFSWBXIJLOAF-UHFFFAOYSA-N
XLogP4.13
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[(4-chlorophenyl)methyl]-3-methyl-1-(pyridin-2-ylmethyl)pyrrolidine-2,5-dione
CID 135057308
3-methyl-1-(pyridin-2-ylmethyl)pyrrolidine-2,5-dione
CID 102582008
3-methyl-1-(pyridin-2-ylmethyl)piperazine-2,6-dione
CID 66074326
2-[5-chloro-2,2',5'-trioxo-1'-(pyridin-2-ylmethyl)spiro[indole-3,3'-pyrrolidine]-1-yl]acetic acid
CID 15950188
1-(pyridin-2-ylmethyl)-3H-indol-2-one
CID 90893291
(3S)-3'-(pyridin-2-ylmethyl)spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione
CID 124590759
(3R)-1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-3-methyl-3-(2-methylpropyl)pyrrolidine-2,5-dione
CID 129402871
6-(4-methylphenyl)-1-(pyridin-2-ylmethyl)-3H-pyrrolo[3,2-b]pyridin-2-one
CID 162146956
6,7-dimethyl-1-(pyridin-2-ylmethyl)indole-2,3-dione
CID 61356749
5-amino-2-oxo-1-(pyridin-2-ylmethyl)-3H-pyrrole-4-carboxylic acid
CID 82128968
3,3,6,6-tetramethyl-4-(pyridin-2-ylmethyl)-1,4-diazepan-5-one
CID 117023537
5,5-dimethyl-4-(methylaminomethyl)-1-(pyridin-2-ylmethyl)pyrrolidin-2-one
CID 117023330

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-[(2,3,4,5,6-pentamethylphenyl)methyl]-1-(pyridin-2-ylmethyl)pyrrolidine-2,5-dione?
The IUPAC name of 3-methyl-3-[(2,3,4,5,6-pentamethylphenyl)methyl]-1-(pyridin-2-ylmethyl)pyrrolidine-2,5-dione (CID 135059093) is 3-methyl-3-[(2,3,4,5,6-pentamethylphenyl)methyl]-1-(pyridin-2-ylmethyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-methyl-3-[(2,3,4,5,6-pentamethylphenyl)methyl]-1-(pyridin-2-ylmethyl)pyrrolidine-2,5-dione?
The canonical SMILES for 3-methyl-3-[(2,3,4,5,6-pentamethylphenyl)methyl]-1-(pyridin-2-ylmethyl)pyrrolidine-2,5-dione is Cc1c(C)c(C)c(CC2(C)CC(=O)N(Cc3ccccn3)C2=O)c(C)c1C.
What is the InChIKey of 3-methyl-3-[(2,3,4,5,6-pentamethylphenyl)methyl]-1-(pyridin-2-ylmethyl)pyrrolidine-2,5-dione?
The InChIKey is JGUFSWBXIJLOAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O2/c1-14-15(2)17(4)20(18(5)16(14)3)11-23(6)12-21(26)25(22(23)27)13-19-9-7-8-10-24-19/h7-10H,11-13H2,1-6H3.
What are the key properties of 3-methyl-3-[(2,3,4,5,6-pentamethylphenyl)methyl]-1-(pyridin-2-ylmethyl)pyrrolidine-2,5-dione?
3-methyl-3-[(2,3,4,5,6-pentamethylphenyl)methyl]-1-(pyridin-2-ylmethyl)pyrrolidine-2,5-dione has a molecular weight of 364.49 g/mol, XLogP of 4.13, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-[(2,3,4,5,6-pentamethylphenyl)methyl]-1-(pyridin-2-ylmethyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 135059093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).