ethane;3-(4-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;2-(4-methylphenyl)pyridine

C30H37N3O3 — CID 176977763

IUPACethane;3-(4-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;2-(4-methylphenyl)pyridine
SMILESCC.CC.Cc1ccc(-c2ccccn2)cc1.Cc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2
InChIInChI=1S/C14H14N2O3.C12H11N.2C2H6/c1-8-3-2-4-9-7-16(14(19)12(8)9)10-5-6-11(17)15-13(10)18;1-10-5-7-11(8-6-10)12-4-2-3-9-13-12;2*1-2/h2-4,10H,5-7H2,1H3,(H,15,17,18);2-9H,1H3;2*1-2H3
InChIKeyJRGCEXXJEMZLBF-UHFFFAOYSA-N
MW487.64 g/mol
LogP5.87
Rot. Bonds2

About ethane;3-(4-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;2-(4-methylphenyl)pyridine

ethane;3-(4-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;2-(4-methylphenyl)pyridine (PubChem CID 176977763) has the molecular formula C30H37N3O3 and a molecular weight of 487.64 g/mol. Its IUPAC name is ethane;3-(4-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;2-(4-methylphenyl)pyridine.

Molecular Properties

Compound Nameethane;3-(4-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;2-(4-methylphenyl)pyridine
PubChem CID176977763
Molecular FormulaC30H37N3O3
Molecular Weight487.64 g/mol
Exact Mass487.28
IUPAC Nameethane;3-(4-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;2-(4-methylphenyl)pyridine
SMILESCC.CC.Cc1ccc(-c2ccccn2)cc1.Cc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2
InChIInChI=1S/C14H14N2O3.C12H11N.2C2H6/c1-8-3-2-4-9-7-16(14(19)12(8)9)10-5-6-11(17)15-13(10)18;1-10-5-7-11(8-6-10)12-4-2-3-9-13-12;2*1-2/h2-4,10H,5-7H2,1H3,(H,15,17,18);2-9H,1H3;2*1-2H3
InChIKeyJRGCEXXJEMZLBF-UHFFFAOYSA-N
XLogP5.87
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.64
LogP ≤ 55.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze ethane;3-(4-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;2-(4-methylphenyl)pyridine with MolForge

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Launch Full Analysis

Related Compounds

3-(4-fluoro-3-oxo-6-pyridin-2-yl-1H-isoindol-2-yl)piperidine-2,6-dione
CID 171545904
3-(3-oxo-4-phenyl-1H-isoindol-2-yl)piperidine-2,6-dione
CID 156502012
3-[6-(2-methylphenyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167767771
3-[3-oxo-4-[[(3-pyridin-2-ylazetidin-3-yl)amino]methyl]-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167716573
ethane;3-(5-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 155599247
3-[4-(4-methylpiperidin-1-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 155177575
3-[5-(dimethylamino)-4-methyl-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167342441
3-(7-cyclopropyl-4-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 167342547
[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl] N-(2-fluoro-4-pyridin-2-ylphenyl)-N-methylcarbamate
CID 170781353
methylazanium;3-(3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 155746155
3-[6-(5-methyl-1H-pyrazol-3-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 162723744
3-[4-[[2-(aminomethyl)-N-methylanilino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167742172

Frequently Asked Questions

What is the IUPAC name of ethane;3-(4-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;2-(4-methylphenyl)pyridine?
The IUPAC name of ethane;3-(4-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;2-(4-methylphenyl)pyridine (CID 176977763) is ethane;3-(4-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;2-(4-methylphenyl)pyridine.
What is the SMILES notation for ethane;3-(4-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;2-(4-methylphenyl)pyridine?
The canonical SMILES for ethane;3-(4-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;2-(4-methylphenyl)pyridine is CC.CC.Cc1ccc(-c2ccccn2)cc1.Cc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2.
What is the InChIKey of ethane;3-(4-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;2-(4-methylphenyl)pyridine?
The InChIKey is JRGCEXXJEMZLBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3.C12H11N.2C2H6/c1-8-3-2-4-9-7-16(14(19)12(8)9)10-5-6-11(17)15-13(10)18;1-10-5-7-11(8-6-10)12-4-2-3-9-13-12;2*1-2/h2-4,10H,5-7H2,1H3,(H,15,17,18);2-9H,1H3;2*1-2H3.
What are the key properties of ethane;3-(4-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;2-(4-methylphenyl)pyridine?
ethane;3-(4-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;2-(4-methylphenyl)pyridine has a molecular weight of 487.64 g/mol, XLogP of 5.87, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-(4-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;2-(4-methylphenyl)pyridine is sourced from PubChem (CID 176977763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).