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

C17H16ClN3O2 — CID 650954

IUPAC1-(4-chlorophenyl)-3-[methyl(pyridin-4-ylmethyl)amino]pyrrolidine-2,5-dione
SMILESCN(Cc1ccncc1)C1CC(=O)N(c2ccc(Cl)cc2)C1=O
InChIInChI=1S/C17H16ClN3O2/c1-20(11-12-6-8-19-9-7-12)15-10-16(22)21(17(15)23)14-4-2-13(18)3-5-14/h2-9,15H,10-11H2,1H3
InChIKeyADQURYJQECURIE-UHFFFAOYSA-N
MW329.79 g/mol
LogP2.50
Rot. Bonds4

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

1-(4-chlorophenyl)-3-[methyl(pyridin-4-ylmethyl)amino]pyrrolidine-2,5-dione (PubChem CID 650954) has the molecular formula C17H16ClN3O2 and a molecular weight of 329.79 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[methyl(pyridin-4-ylmethyl)amino]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[methyl(pyridin-4-ylmethyl)amino]pyrrolidine-2,5-dione
PubChem CID650954
Molecular FormulaC17H16ClN3O2
Molecular Weight329.79 g/mol
Exact Mass329.09
IUPAC Name1-(4-chlorophenyl)-3-[methyl(pyridin-4-ylmethyl)amino]pyrrolidine-2,5-dione
SMILESCN(Cc1ccncc1)C1CC(=O)N(c2ccc(Cl)cc2)C1=O
InChIInChI=1S/C17H16ClN3O2/c1-20(11-12-6-8-19-9-7-12)15-10-16(22)21(17(15)23)14-4-2-13(18)3-5-14/h2-9,15H,10-11H2,1H3
InChIKeyADQURYJQECURIE-UHFFFAOYSA-N
XLogP2.50
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.79
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(4-chlorophenyl)-3-[methyl(pyridin-4-ylmethyl)amino]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 1-(4-chlorophenyl)-3-[methyl(pyridin-4-ylmethyl)amino]pyrrolidine-2,5-dione?
The IUPAC name of 1-(4-chlorophenyl)-3-[methyl(pyridin-4-ylmethyl)amino]pyrrolidine-2,5-dione (CID 650954) is 1-(4-chlorophenyl)-3-[methyl(pyridin-4-ylmethyl)amino]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[methyl(pyridin-4-ylmethyl)amino]pyrrolidine-2,5-dione?
The canonical SMILES for 1-(4-chlorophenyl)-3-[methyl(pyridin-4-ylmethyl)amino]pyrrolidine-2,5-dione is CN(Cc1ccncc1)C1CC(=O)N(c2ccc(Cl)cc2)C1=O.
What is the InChIKey of 1-(4-chlorophenyl)-3-[methyl(pyridin-4-ylmethyl)amino]pyrrolidine-2,5-dione?
The InChIKey is ADQURYJQECURIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O2/c1-20(11-12-6-8-19-9-7-12)15-10-16(22)21(17(15)23)14-4-2-13(18)3-5-14/h2-9,15H,10-11H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-3-[methyl(pyridin-4-ylmethyl)amino]pyrrolidine-2,5-dione?
1-(4-chlorophenyl)-3-[methyl(pyridin-4-ylmethyl)amino]pyrrolidine-2,5-dione has a molecular weight of 329.79 g/mol, XLogP of 2.50, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[methyl(pyridin-4-ylmethyl)amino]pyrrolidine-2,5-dione is sourced from PubChem (CID 650954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).