2-[4-[4-chloro-2-(3,5-dimethylphenoxy)phenyl]-2-oxopyrrolidin-1-yl]-6-(oxolan-2-yl)pyridine-4-carboxamide

C28H28ClN3O4 — CID 70966736

IUPAC2-[4-[4-chloro-2-(3,5-dimethylphenoxy)phenyl]-2-oxopyrrolidin-1-yl]-6-(oxolan-2-yl)pyridine-4-carboxamide
SMILESCc1cc(C)cc(Oc2cc(Cl)ccc2C2CC(=O)N(c3cc(C(N)=O)cc(C4CCCO4)n3)C2)c1
InChIInChI=1S/C28H28ClN3O4/c1-16-8-17(2)10-21(9-16)36-25-14-20(29)5-6-22(25)19-13-27(33)32(15-19)26-12-18(28(30)34)11-23(31-26)24-4-3-7-35-24/h5-6,8-12,14,19,24H,3-4,7,13,15H2,1-2H3,(H2,30,34)
InChIKeyQONIPQNHQFIOOJ-UHFFFAOYSA-N
MW506.00 g/mol
LogP5.62
Rot. Bonds6

About 2-[4-[4-chloro-2-(3,5-dimethylphenoxy)phenyl]-2-oxopyrrolidin-1-yl]-6-(oxolan-2-yl)pyridine-4-carboxamide

2-[4-[4-chloro-2-(3,5-dimethylphenoxy)phenyl]-2-oxopyrrolidin-1-yl]-6-(oxolan-2-yl)pyridine-4-carboxamide (PubChem CID 70966736) has the molecular formula C28H28ClN3O4 and a molecular weight of 506.00 g/mol. Its IUPAC name is 2-[4-[4-chloro-2-(3,5-dimethylphenoxy)phenyl]-2-oxopyrrolidin-1-yl]-6-(oxolan-2-yl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-[4-[4-chloro-2-(3,5-dimethylphenoxy)phenyl]-2-oxopyrrolidin-1-yl]-6-(oxolan-2-yl)pyridine-4-carboxamide
PubChem CID70966736
Molecular FormulaC28H28ClN3O4
Molecular Weight506.00 g/mol
Exact Mass505.18
IUPAC Name2-[4-[4-chloro-2-(3,5-dimethylphenoxy)phenyl]-2-oxopyrrolidin-1-yl]-6-(oxolan-2-yl)pyridine-4-carboxamide
SMILESCc1cc(C)cc(Oc2cc(Cl)ccc2C2CC(=O)N(c3cc(C(N)=O)cc(C4CCCO4)n3)C2)c1
InChIInChI=1S/C28H28ClN3O4/c1-16-8-17(2)10-21(9-16)36-25-14-20(29)5-6-22(25)19-13-27(33)32(15-19)26-12-18(28(30)34)11-23(31-26)24-4-3-7-35-24/h5-6,8-12,14,19,24H,3-4,7,13,15H2,1-2H3,(H2,30,34)
InChIKeyQONIPQNHQFIOOJ-UHFFFAOYSA-N
XLogP5.62
TPSA94.75 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.00
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[4-[4-chloro-2-(3,5-dimethylphenoxy)phenyl]-2-oxopyrrolidin-1-yl]-6-(oxolan-2-yl)pyridine-4-carboxamide 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-[4-[4-chloro-2-(3,5-dimethylphenoxy)phenyl]-2-oxopyrrolidin-1-yl]-6-(oxolan-2-yl)pyridine-4-carboxamide?
The IUPAC name of 2-[4-[4-chloro-2-(3,5-dimethylphenoxy)phenyl]-2-oxopyrrolidin-1-yl]-6-(oxolan-2-yl)pyridine-4-carboxamide (CID 70966736) is 2-[4-[4-chloro-2-(3,5-dimethylphenoxy)phenyl]-2-oxopyrrolidin-1-yl]-6-(oxolan-2-yl)pyridine-4-carboxamide.
What is the SMILES notation for 2-[4-[4-chloro-2-(3,5-dimethylphenoxy)phenyl]-2-oxopyrrolidin-1-yl]-6-(oxolan-2-yl)pyridine-4-carboxamide?
The canonical SMILES for 2-[4-[4-chloro-2-(3,5-dimethylphenoxy)phenyl]-2-oxopyrrolidin-1-yl]-6-(oxolan-2-yl)pyridine-4-carboxamide is Cc1cc(C)cc(Oc2cc(Cl)ccc2C2CC(=O)N(c3cc(C(N)=O)cc(C4CCCO4)n3)C2)c1.
What is the InChIKey of 2-[4-[4-chloro-2-(3,5-dimethylphenoxy)phenyl]-2-oxopyrrolidin-1-yl]-6-(oxolan-2-yl)pyridine-4-carboxamide?
The InChIKey is QONIPQNHQFIOOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28ClN3O4/c1-16-8-17(2)10-21(9-16)36-25-14-20(29)5-6-22(25)19-13-27(33)32(15-19)26-12-18(28(30)34)11-23(31-26)24-4-3-7-35-24/h5-6,8-12,14,19,24H,3-4,7,13,15H2,1-2H3,(H2,30,34).
What are the key properties of 2-[4-[4-chloro-2-(3,5-dimethylphenoxy)phenyl]-2-oxopyrrolidin-1-yl]-6-(oxolan-2-yl)pyridine-4-carboxamide?
2-[4-[4-chloro-2-(3,5-dimethylphenoxy)phenyl]-2-oxopyrrolidin-1-yl]-6-(oxolan-2-yl)pyridine-4-carboxamide has a molecular weight of 506.00 g/mol, XLogP of 5.62, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-chloro-2-(3,5-dimethylphenoxy)phenyl]-2-oxopyrrolidin-1-yl]-6-(oxolan-2-yl)pyridine-4-carboxamide is sourced from PubChem (CID 70966736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).