5-[4-[3-(2-cyanophenoxy)-4-methoxyphenyl]-2-oxopyrrolidin-1-yl]-N,N-bis[(4-methoxyphenyl)methyl]pyridine-3-carboxamide

C40H36N4O6 — CID 68828384

IUPAC5-[4-[3-(2-cyanophenoxy)-4-methoxyphenyl]-2-oxopyrrolidin-1-yl]-N,N-bis[(4-methoxyphenyl)methyl]pyridine-3-carboxamide
SMILESCOc1ccc(CN(Cc2ccc(OC)cc2)C(=O)c2cncc(N3CC(c4ccc(OC)c(Oc5ccccc5C#N)c4)CC3=O)c2)cc1
InChIInChI=1S/C40H36N4O6/c1-47-34-13-8-27(9-14-34)24-43(25-28-10-15-35(48-2)16-11-28)40(46)31-18-33(23-42-22-31)44-26-32(20-39(44)45)29-12-17-37(49-3)38(19-29)50-36-7-5-4-6-30(36)21-41/h4-19,22-23,32H,20,24-26H2,1-3H3
InChIKeyOBJMRPRTUMNEBD-UHFFFAOYSA-N
MW668.75 g/mol
LogP7.13
Rot. Bonds12

About 5-[4-[3-(2-cyanophenoxy)-4-methoxyphenyl]-2-oxopyrrolidin-1-yl]-N,N-bis[(4-methoxyphenyl)methyl]pyridine-3-carboxamide

5-[4-[3-(2-cyanophenoxy)-4-methoxyphenyl]-2-oxopyrrolidin-1-yl]-N,N-bis[(4-methoxyphenyl)methyl]pyridine-3-carboxamide (PubChem CID 68828384) has the molecular formula C40H36N4O6 and a molecular weight of 668.75 g/mol. Its IUPAC name is 5-[4-[3-(2-cyanophenoxy)-4-methoxyphenyl]-2-oxopyrrolidin-1-yl]-N,N-bis[(4-methoxyphenyl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[4-[3-(2-cyanophenoxy)-4-methoxyphenyl]-2-oxopyrrolidin-1-yl]-N,N-bis[(4-methoxyphenyl)methyl]pyridine-3-carboxamide
PubChem CID68828384
Molecular FormulaC40H36N4O6
Molecular Weight668.75 g/mol
Exact Mass668.26
IUPAC Name5-[4-[3-(2-cyanophenoxy)-4-methoxyphenyl]-2-oxopyrrolidin-1-yl]-N,N-bis[(4-methoxyphenyl)methyl]pyridine-3-carboxamide
SMILESCOc1ccc(CN(Cc2ccc(OC)cc2)C(=O)c2cncc(N3CC(c4ccc(OC)c(Oc5ccccc5C#N)c4)CC3=O)c2)cc1
InChIInChI=1S/C40H36N4O6/c1-47-34-13-8-27(9-14-34)24-43(25-28-10-15-35(48-2)16-11-28)40(46)31-18-33(23-42-22-31)44-26-32(20-39(44)45)29-12-17-37(49-3)38(19-29)50-36-7-5-4-6-30(36)21-41/h4-19,22-23,32H,20,24-26H2,1-3H3
InChIKeyOBJMRPRTUMNEBD-UHFFFAOYSA-N
XLogP7.13
TPSA114.22 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500668.75
LogP ≤ 57.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 5-[4-[3-(2-cyanophenoxy)-4-methoxyphenyl]-2-oxopyrrolidin-1-yl]-N,N-bis[(4-methoxyphenyl)methyl]pyridine-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 5-[4-[3-(2-cyanophenoxy)-4-methoxyphenyl]-2-oxopyrrolidin-1-yl]-N,N-bis[(4-methoxyphenyl)methyl]pyridine-3-carboxamide?
The IUPAC name of 5-[4-[3-(2-cyanophenoxy)-4-methoxyphenyl]-2-oxopyrrolidin-1-yl]-N,N-bis[(4-methoxyphenyl)methyl]pyridine-3-carboxamide (CID 68828384) is 5-[4-[3-(2-cyanophenoxy)-4-methoxyphenyl]-2-oxopyrrolidin-1-yl]-N,N-bis[(4-methoxyphenyl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-[4-[3-(2-cyanophenoxy)-4-methoxyphenyl]-2-oxopyrrolidin-1-yl]-N,N-bis[(4-methoxyphenyl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 5-[4-[3-(2-cyanophenoxy)-4-methoxyphenyl]-2-oxopyrrolidin-1-yl]-N,N-bis[(4-methoxyphenyl)methyl]pyridine-3-carboxamide is COc1ccc(CN(Cc2ccc(OC)cc2)C(=O)c2cncc(N3CC(c4ccc(OC)c(Oc5ccccc5C#N)c4)CC3=O)c2)cc1.
What is the InChIKey of 5-[4-[3-(2-cyanophenoxy)-4-methoxyphenyl]-2-oxopyrrolidin-1-yl]-N,N-bis[(4-methoxyphenyl)methyl]pyridine-3-carboxamide?
The InChIKey is OBJMRPRTUMNEBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H36N4O6/c1-47-34-13-8-27(9-14-34)24-43(25-28-10-15-35(48-2)16-11-28)40(46)31-18-33(23-42-22-31)44-26-32(20-39(44)45)29-12-17-37(49-3)38(19-29)50-36-7-5-4-6-30(36)21-41/h4-19,22-23,32H,20,24-26H2,1-3H3.
What are the key properties of 5-[4-[3-(2-cyanophenoxy)-4-methoxyphenyl]-2-oxopyrrolidin-1-yl]-N,N-bis[(4-methoxyphenyl)methyl]pyridine-3-carboxamide?
5-[4-[3-(2-cyanophenoxy)-4-methoxyphenyl]-2-oxopyrrolidin-1-yl]-N,N-bis[(4-methoxyphenyl)methyl]pyridine-3-carboxamide has a molecular weight of 668.75 g/mol, XLogP of 7.13, 12 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[3-(2-cyanophenoxy)-4-methoxyphenyl]-2-oxopyrrolidin-1-yl]-N,N-bis[(4-methoxyphenyl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 68828384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).