N-(4-chlorophenyl)-1-(2-ethoxyphenyl)-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide

C25H24ClN3O3 — CID 60535937

IUPACN-(4-chlorophenyl)-1-(2-ethoxyphenyl)-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
SMILESCCOc1ccccc1N1CC(C(=O)N(Cc2ccccn2)c2ccc(Cl)cc2)CC1=O
InChIInChI=1S/C25H24ClN3O3/c1-2-32-23-9-4-3-8-22(23)29-16-18(15-24(29)30)25(31)28(17-20-7-5-6-14-27-20)21-12-10-19(26)11-13-21/h3-14,18H,2,15-17H2,1H3
InChIKeyWIGZAFBOIYVNKW-UHFFFAOYSA-N
MW449.94 g/mol
LogP4.72
Rot. Bonds7

About N-(4-chlorophenyl)-1-(2-ethoxyphenyl)-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide

N-(4-chlorophenyl)-1-(2-ethoxyphenyl)-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide (PubChem CID 60535937) has the molecular formula C25H24ClN3O3 and a molecular weight of 449.94 g/mol. Its IUPAC name is N-(4-chlorophenyl)-1-(2-ethoxyphenyl)-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-1-(2-ethoxyphenyl)-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
PubChem CID60535937
Molecular FormulaC25H24ClN3O3
Molecular Weight449.94 g/mol
Exact Mass449.15
IUPAC NameN-(4-chlorophenyl)-1-(2-ethoxyphenyl)-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
SMILESCCOc1ccccc1N1CC(C(=O)N(Cc2ccccn2)c2ccc(Cl)cc2)CC1=O
InChIInChI=1S/C25H24ClN3O3/c1-2-32-23-9-4-3-8-22(23)29-16-18(15-24(29)30)25(31)28(17-20-7-5-6-14-27-20)21-12-10-19(26)11-13-21/h3-14,18H,2,15-17H2,1H3
InChIKeyWIGZAFBOIYVNKW-UHFFFAOYSA-N
XLogP4.72
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.94
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-(4-chlorophenyl)-1-(2-ethoxyphenyl)-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-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 N-(4-chlorophenyl)-1-(2-ethoxyphenyl)-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-1-(2-ethoxyphenyl)-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide (CID 60535937) is N-(4-chlorophenyl)-1-(2-ethoxyphenyl)-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-1-(2-ethoxyphenyl)-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-1-(2-ethoxyphenyl)-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide is CCOc1ccccc1N1CC(C(=O)N(Cc2ccccn2)c2ccc(Cl)cc2)CC1=O.
What is the InChIKey of N-(4-chlorophenyl)-1-(2-ethoxyphenyl)-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide?
The InChIKey is WIGZAFBOIYVNKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClN3O3/c1-2-32-23-9-4-3-8-22(23)29-16-18(15-24(29)30)25(31)28(17-20-7-5-6-14-27-20)21-12-10-19(26)11-13-21/h3-14,18H,2,15-17H2,1H3.
What are the key properties of N-(4-chlorophenyl)-1-(2-ethoxyphenyl)-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide?
N-(4-chlorophenyl)-1-(2-ethoxyphenyl)-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide has a molecular weight of 449.94 g/mol, XLogP of 4.72, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-1-(2-ethoxyphenyl)-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 60535937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).