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

C27H23ClN4O4 — CID 71029346

IUPAC2-[4-[4-chloro-2-(2-cyanophenoxy)phenyl]-2-oxopyrrolidin-1-yl]-6-(oxolan-2-yl)pyridine-4-carboxamide
SMILESN#Cc1ccccc1Oc1cc(Cl)ccc1C1CC(=O)N(c2cc(C(N)=O)cc(C3CCCO3)n2)C1
InChIInChI=1S/C27H23ClN4O4/c28-19-7-8-20(24(13-19)36-22-5-2-1-4-16(22)14-29)18-12-26(33)32(15-18)25-11-17(27(30)34)10-21(31-25)23-6-3-9-35-23/h1-2,4-5,7-8,10-11,13,18,23H,3,6,9,12,15H2,(H2,30,34)
InChIKeyGZPLDYWDPALJAR-UHFFFAOYSA-N
MW502.96 g/mol
LogP4.87
Rot. Bonds6

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

2-[4-[4-chloro-2-(2-cyanophenoxy)phenyl]-2-oxopyrrolidin-1-yl]-6-(oxolan-2-yl)pyridine-4-carboxamide (PubChem CID 71029346) has the molecular formula C27H23ClN4O4 and a molecular weight of 502.96 g/mol. Its IUPAC name is 2-[4-[4-chloro-2-(2-cyanophenoxy)phenyl]-2-oxopyrrolidin-1-yl]-6-(oxolan-2-yl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-[4-[4-chloro-2-(2-cyanophenoxy)phenyl]-2-oxopyrrolidin-1-yl]-6-(oxolan-2-yl)pyridine-4-carboxamide
PubChem CID71029346
Molecular FormulaC27H23ClN4O4
Molecular Weight502.96 g/mol
Exact Mass502.14
IUPAC Name2-[4-[4-chloro-2-(2-cyanophenoxy)phenyl]-2-oxopyrrolidin-1-yl]-6-(oxolan-2-yl)pyridine-4-carboxamide
SMILESN#Cc1ccccc1Oc1cc(Cl)ccc1C1CC(=O)N(c2cc(C(N)=O)cc(C3CCCO3)n2)C1
InChIInChI=1S/C27H23ClN4O4/c28-19-7-8-20(24(13-19)36-22-5-2-1-4-16(22)14-29)18-12-26(33)32(15-18)25-11-17(27(30)34)10-21(31-25)23-6-3-9-35-23/h1-2,4-5,7-8,10-11,13,18,23H,3,6,9,12,15H2,(H2,30,34)
InChIKeyGZPLDYWDPALJAR-UHFFFAOYSA-N
XLogP4.87
TPSA118.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.96
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-chloro-2-(2-cyanophenoxy)phenyl]-2-oxopyrrolidin-1-yl]-6-(oxolan-2-yl)pyridine-4-carboxamide?
The IUPAC name of 2-[4-[4-chloro-2-(2-cyanophenoxy)phenyl]-2-oxopyrrolidin-1-yl]-6-(oxolan-2-yl)pyridine-4-carboxamide (CID 71029346) is 2-[4-[4-chloro-2-(2-cyanophenoxy)phenyl]-2-oxopyrrolidin-1-yl]-6-(oxolan-2-yl)pyridine-4-carboxamide.
What is the SMILES notation for 2-[4-[4-chloro-2-(2-cyanophenoxy)phenyl]-2-oxopyrrolidin-1-yl]-6-(oxolan-2-yl)pyridine-4-carboxamide?
The canonical SMILES for 2-[4-[4-chloro-2-(2-cyanophenoxy)phenyl]-2-oxopyrrolidin-1-yl]-6-(oxolan-2-yl)pyridine-4-carboxamide is N#Cc1ccccc1Oc1cc(Cl)ccc1C1CC(=O)N(c2cc(C(N)=O)cc(C3CCCO3)n2)C1.
What is the InChIKey of 2-[4-[4-chloro-2-(2-cyanophenoxy)phenyl]-2-oxopyrrolidin-1-yl]-6-(oxolan-2-yl)pyridine-4-carboxamide?
The InChIKey is GZPLDYWDPALJAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23ClN4O4/c28-19-7-8-20(24(13-19)36-22-5-2-1-4-16(22)14-29)18-12-26(33)32(15-18)25-11-17(27(30)34)10-21(31-25)23-6-3-9-35-23/h1-2,4-5,7-8,10-11,13,18,23H,3,6,9,12,15H2,(H2,30,34).
What are the key properties of 2-[4-[4-chloro-2-(2-cyanophenoxy)phenyl]-2-oxopyrrolidin-1-yl]-6-(oxolan-2-yl)pyridine-4-carboxamide?
2-[4-[4-chloro-2-(2-cyanophenoxy)phenyl]-2-oxopyrrolidin-1-yl]-6-(oxolan-2-yl)pyridine-4-carboxamide has a molecular weight of 502.96 g/mol, XLogP of 4.87, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-chloro-2-(2-cyanophenoxy)phenyl]-2-oxopyrrolidin-1-yl]-6-(oxolan-2-yl)pyridine-4-carboxamide is sourced from PubChem (CID 71029346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).