2-[2-[4-(4-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]isoindole-1,3-dione

C22H22N2O2 — CID 90677141

IUPAC2-[2-[4-(4-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]isoindole-1,3-dione
SMILESCc1ccc(C2=CCN(CCN3C(=O)c4ccccc4C3=O)CC2)cc1
InChIInChI=1S/C22H22N2O2/c1-16-6-8-17(9-7-16)18-10-12-23(13-11-18)14-15-24-21(25)19-4-2-3-5-20(19)22(24)26/h2-10H,11-15H2,1H3
InChIKeyYCPWUCAETKNCLK-UHFFFAOYSA-N
MW346.43 g/mol
LogP3.38
Rot. Bonds4

About 2-[2-[4-(4-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]isoindole-1,3-dione

2-[2-[4-(4-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]isoindole-1,3-dione (PubChem CID 90677141) has the molecular formula C22H22N2O2 and a molecular weight of 346.43 g/mol. Its IUPAC name is 2-[2-[4-(4-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[2-[4-(4-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]isoindole-1,3-dione
PubChem CID90677141
Molecular FormulaC22H22N2O2
Molecular Weight346.43 g/mol
Exact Mass346.17
IUPAC Name2-[2-[4-(4-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]isoindole-1,3-dione
SMILESCc1ccc(C2=CCN(CCN3C(=O)c4ccccc4C3=O)CC2)cc1
InChIInChI=1S/C22H22N2O2/c1-16-6-8-17(9-7-16)18-10-12-23(13-11-18)14-15-24-21(25)19-4-2-3-5-20(19)22(24)26/h2-10H,11-15H2,1H3
InChIKeyYCPWUCAETKNCLK-UHFFFAOYSA-N
XLogP3.38
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[2-[4-(4-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]isoindole-1,3-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(4-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]isoindole-1,3-dione?
The IUPAC name of 2-[2-[4-(4-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]isoindole-1,3-dione (CID 90677141) is 2-[2-[4-(4-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[2-[4-(4-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]isoindole-1,3-dione?
The canonical SMILES for 2-[2-[4-(4-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]isoindole-1,3-dione is Cc1ccc(C2=CCN(CCN3C(=O)c4ccccc4C3=O)CC2)cc1.
What is the InChIKey of 2-[2-[4-(4-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]isoindole-1,3-dione?
The InChIKey is YCPWUCAETKNCLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O2/c1-16-6-8-17(9-7-16)18-10-12-23(13-11-18)14-15-24-21(25)19-4-2-3-5-20(19)22(24)26/h2-10H,11-15H2,1H3.
What are the key properties of 2-[2-[4-(4-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]isoindole-1,3-dione?
2-[2-[4-(4-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]isoindole-1,3-dione has a molecular weight of 346.43 g/mol, XLogP of 3.38, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(4-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]isoindole-1,3-dione is sourced from PubChem (CID 90677141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).