3-(3-chlorophenyl)-1-(4-methyl-2-pyridinyl)pyrrolidine-2,5-dione

C16H13ClN2O2 — CID 3076811

IUPAC3-(3-chlorophenyl)-1-(4-methyl-2-pyridinyl)pyrrolidine-2,5-dione
SMILESCc1ccnc(N2C(=O)CC(c3cccc(Cl)c3)C2=O)c1
InChIInChI=1S/C16H13ClN2O2/c1-10-5-6-18-14(7-10)19-15(20)9-13(16(19)21)11-3-2-4-12(17)8-11/h2-8,13H,9H2,1H3
InChIKeyPVNKBNXQADKTPK-UHFFFAOYSA-N
MW300.75 g/mol
LogP3.09
Rot. Bonds2

About 3-(3-chlorophenyl)-1-(4-methyl-2-pyridinyl)pyrrolidine-2,5-dione

3-(3-chlorophenyl)-1-(4-methyl-2-pyridinyl)pyrrolidine-2,5-dione (PubChem CID 3076811) has the molecular formula C16H13ClN2O2 and a molecular weight of 300.75 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-1-(4-methyl-2-pyridinyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(3-chlorophenyl)-1-(4-methyl-2-pyridinyl)pyrrolidine-2,5-dione
PubChem CID3076811
Molecular FormulaC16H13ClN2O2
Molecular Weight300.75 g/mol
Exact Mass300.07
IUPAC Name3-(3-chlorophenyl)-1-(4-methyl-2-pyridinyl)pyrrolidine-2,5-dione
SMILESCc1ccnc(N2C(=O)CC(c3cccc(Cl)c3)C2=O)c1
InChIInChI=1S/C16H13ClN2O2/c1-10-5-6-18-14(7-10)19-15(20)9-13(16(19)21)11-3-2-4-12(17)8-11/h2-8,13H,9H2,1H3
InChIKeyPVNKBNXQADKTPK-UHFFFAOYSA-N
XLogP3.09
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.75
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(3-chlorophenyl)-1-(4-methyl-2-pyridinyl)pyrrolidine-2,5-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 3-(3-chlorophenyl)-1-(4-methyl-2-pyridinyl)pyrrolidine-2,5-dione?
The IUPAC name of 3-(3-chlorophenyl)-1-(4-methyl-2-pyridinyl)pyrrolidine-2,5-dione (CID 3076811) is 3-(3-chlorophenyl)-1-(4-methyl-2-pyridinyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-(3-chlorophenyl)-1-(4-methyl-2-pyridinyl)pyrrolidine-2,5-dione?
The canonical SMILES for 3-(3-chlorophenyl)-1-(4-methyl-2-pyridinyl)pyrrolidine-2,5-dione is Cc1ccnc(N2C(=O)CC(c3cccc(Cl)c3)C2=O)c1.
What is the InChIKey of 3-(3-chlorophenyl)-1-(4-methyl-2-pyridinyl)pyrrolidine-2,5-dione?
The InChIKey is PVNKBNXQADKTPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O2/c1-10-5-6-18-14(7-10)19-15(20)9-13(16(19)21)11-3-2-4-12(17)8-11/h2-8,13H,9H2,1H3.
What are the key properties of 3-(3-chlorophenyl)-1-(4-methyl-2-pyridinyl)pyrrolidine-2,5-dione?
3-(3-chlorophenyl)-1-(4-methyl-2-pyridinyl)pyrrolidine-2,5-dione has a molecular weight of 300.75 g/mol, XLogP of 3.09, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-1-(4-methyl-2-pyridinyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 3076811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).