2-[4-[4-chloro-2-(2-chloro-6-cyanophenoxy)phenyl]-2-oxopyrrolidin-1-yl]pyridine-4-carboxamide

C23H16Cl2N4O3 — CID 70966718

IUPAC2-[4-[4-chloro-2-(2-chloro-6-cyanophenoxy)phenyl]-2-oxopyrrolidin-1-yl]pyridine-4-carboxamide
SMILESN#Cc1cccc(Cl)c1Oc1cc(Cl)ccc1C1CC(=O)N(c2cc(C(N)=O)ccn2)C1
InChIInChI=1S/C23H16Cl2N4O3/c24-16-4-5-17(19(10-16)32-22-14(11-26)2-1-3-18(22)25)15-9-21(30)29(12-15)20-8-13(23(27)31)6-7-28-20/h1-8,10,15H,9,12H2,(H2,27,31)
InChIKeyWCCRASXWPMSFJL-UHFFFAOYSA-N
MW467.31 g/mol
LogP4.67
Rot. Bonds5

About 2-[4-[4-chloro-2-(2-chloro-6-cyanophenoxy)phenyl]-2-oxopyrrolidin-1-yl]pyridine-4-carboxamide

2-[4-[4-chloro-2-(2-chloro-6-cyanophenoxy)phenyl]-2-oxopyrrolidin-1-yl]pyridine-4-carboxamide (PubChem CID 70966718) has the molecular formula C23H16Cl2N4O3 and a molecular weight of 467.31 g/mol. Its IUPAC name is 2-[4-[4-chloro-2-(2-chloro-6-cyanophenoxy)phenyl]-2-oxopyrrolidin-1-yl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-[4-[4-chloro-2-(2-chloro-6-cyanophenoxy)phenyl]-2-oxopyrrolidin-1-yl]pyridine-4-carboxamide
PubChem CID70966718
Molecular FormulaC23H16Cl2N4O3
Molecular Weight467.31 g/mol
Exact Mass466.06
IUPAC Name2-[4-[4-chloro-2-(2-chloro-6-cyanophenoxy)phenyl]-2-oxopyrrolidin-1-yl]pyridine-4-carboxamide
SMILESN#Cc1cccc(Cl)c1Oc1cc(Cl)ccc1C1CC(=O)N(c2cc(C(N)=O)ccn2)C1
InChIInChI=1S/C23H16Cl2N4O3/c24-16-4-5-17(19(10-16)32-22-14(11-26)2-1-3-18(22)25)15-9-21(30)29(12-15)20-8-13(23(27)31)6-7-28-20/h1-8,10,15H,9,12H2,(H2,27,31)
InChIKeyWCCRASXWPMSFJL-UHFFFAOYSA-N
XLogP4.67
TPSA109.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.31
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-chloro-2-(2-chloro-6-cyanophenoxy)phenyl]-2-oxopyrrolidin-1-yl]pyridine-4-carboxamide?
The IUPAC name of 2-[4-[4-chloro-2-(2-chloro-6-cyanophenoxy)phenyl]-2-oxopyrrolidin-1-yl]pyridine-4-carboxamide (CID 70966718) is 2-[4-[4-chloro-2-(2-chloro-6-cyanophenoxy)phenyl]-2-oxopyrrolidin-1-yl]pyridine-4-carboxamide.
What is the SMILES notation for 2-[4-[4-chloro-2-(2-chloro-6-cyanophenoxy)phenyl]-2-oxopyrrolidin-1-yl]pyridine-4-carboxamide?
The canonical SMILES for 2-[4-[4-chloro-2-(2-chloro-6-cyanophenoxy)phenyl]-2-oxopyrrolidin-1-yl]pyridine-4-carboxamide is N#Cc1cccc(Cl)c1Oc1cc(Cl)ccc1C1CC(=O)N(c2cc(C(N)=O)ccn2)C1.
What is the InChIKey of 2-[4-[4-chloro-2-(2-chloro-6-cyanophenoxy)phenyl]-2-oxopyrrolidin-1-yl]pyridine-4-carboxamide?
The InChIKey is WCCRASXWPMSFJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16Cl2N4O3/c24-16-4-5-17(19(10-16)32-22-14(11-26)2-1-3-18(22)25)15-9-21(30)29(12-15)20-8-13(23(27)31)6-7-28-20/h1-8,10,15H,9,12H2,(H2,27,31).
What are the key properties of 2-[4-[4-chloro-2-(2-chloro-6-cyanophenoxy)phenyl]-2-oxopyrrolidin-1-yl]pyridine-4-carboxamide?
2-[4-[4-chloro-2-(2-chloro-6-cyanophenoxy)phenyl]-2-oxopyrrolidin-1-yl]pyridine-4-carboxamide has a molecular weight of 467.31 g/mol, XLogP of 4.67, 5 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-(2-chloro-6-cyanophenoxy)phenyl]-2-oxopyrrolidin-1-yl]pyridine-4-carboxamide is sourced from PubChem (CID 70966718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).