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

C27H22Cl2N4O4 — CID 70966713

IUPAC2-[4-[4-chloro-2-(2-chloro-6-cyanophenoxy)phenyl]-2-oxopyrrolidin-1-yl]-6-(oxolan-2-yl)pyridine-4-carboxamide
SMILESN#Cc1cccc(Cl)c1Oc1cc(Cl)ccc1C1CC(=O)N(c2cc(C(N)=O)cc(C3CCCO3)n2)C1
InChIInChI=1S/C27H22Cl2N4O4/c28-18-6-7-19(23(12-18)37-26-15(13-30)3-1-4-20(26)29)17-11-25(34)33(14-17)24-10-16(27(31)35)9-21(32-24)22-5-2-8-36-22/h1,3-4,6-7,9-10,12,17,22H,2,5,8,11,14H2,(H2,31,35)
InChIKeyPGWDGJNFXSOQTO-UHFFFAOYSA-N
MW537.40 g/mol
LogP5.52
Rot. Bonds6

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

2-[4-[4-chloro-2-(2-chloro-6-cyanophenoxy)phenyl]-2-oxopyrrolidin-1-yl]-6-(oxolan-2-yl)pyridine-4-carboxamide (PubChem CID 70966713) has the molecular formula C27H22Cl2N4O4 and a molecular weight of 537.40 g/mol. Its IUPAC name is 2-[4-[4-chloro-2-(2-chloro-6-cyanophenoxy)phenyl]-2-oxopyrrolidin-1-yl]-6-(oxolan-2-yl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-[4-[4-chloro-2-(2-chloro-6-cyanophenoxy)phenyl]-2-oxopyrrolidin-1-yl]-6-(oxolan-2-yl)pyridine-4-carboxamide
PubChem CID70966713
Molecular FormulaC27H22Cl2N4O4
Molecular Weight537.40 g/mol
Exact Mass536.10
IUPAC Name2-[4-[4-chloro-2-(2-chloro-6-cyanophenoxy)phenyl]-2-oxopyrrolidin-1-yl]-6-(oxolan-2-yl)pyridine-4-carboxamide
SMILESN#Cc1cccc(Cl)c1Oc1cc(Cl)ccc1C1CC(=O)N(c2cc(C(N)=O)cc(C3CCCO3)n2)C1
InChIInChI=1S/C27H22Cl2N4O4/c28-18-6-7-19(23(12-18)37-26-15(13-30)3-1-4-20(26)29)17-11-25(34)33(14-17)24-10-16(27(31)35)9-21(32-24)22-5-2-8-36-22/h1,3-4,6-7,9-10,12,17,22H,2,5,8,11,14H2,(H2,31,35)
InChIKeyPGWDGJNFXSOQTO-UHFFFAOYSA-N
XLogP5.52
TPSA118.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.40
LogP ≤ 55.52
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-chloro-6-cyanophenoxy)phenyl]-2-oxopyrrolidin-1-yl]-6-(oxolan-2-yl)pyridine-4-carboxamide?
The IUPAC name of 2-[4-[4-chloro-2-(2-chloro-6-cyanophenoxy)phenyl]-2-oxopyrrolidin-1-yl]-6-(oxolan-2-yl)pyridine-4-carboxamide (CID 70966713) is 2-[4-[4-chloro-2-(2-chloro-6-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-chloro-6-cyanophenoxy)phenyl]-2-oxopyrrolidin-1-yl]-6-(oxolan-2-yl)pyridine-4-carboxamide?
The canonical SMILES for 2-[4-[4-chloro-2-(2-chloro-6-cyanophenoxy)phenyl]-2-oxopyrrolidin-1-yl]-6-(oxolan-2-yl)pyridine-4-carboxamide is N#Cc1cccc(Cl)c1Oc1cc(Cl)ccc1C1CC(=O)N(c2cc(C(N)=O)cc(C3CCCO3)n2)C1.
What is the InChIKey of 2-[4-[4-chloro-2-(2-chloro-6-cyanophenoxy)phenyl]-2-oxopyrrolidin-1-yl]-6-(oxolan-2-yl)pyridine-4-carboxamide?
The InChIKey is PGWDGJNFXSOQTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22Cl2N4O4/c28-18-6-7-19(23(12-18)37-26-15(13-30)3-1-4-20(26)29)17-11-25(34)33(14-17)24-10-16(27(31)35)9-21(32-24)22-5-2-8-36-22/h1,3-4,6-7,9-10,12,17,22H,2,5,8,11,14H2,(H2,31,35).
What are the key properties of 2-[4-[4-chloro-2-(2-chloro-6-cyanophenoxy)phenyl]-2-oxopyrrolidin-1-yl]-6-(oxolan-2-yl)pyridine-4-carboxamide?
2-[4-[4-chloro-2-(2-chloro-6-cyanophenoxy)phenyl]-2-oxopyrrolidin-1-yl]-6-(oxolan-2-yl)pyridine-4-carboxamide has a molecular weight of 537.40 g/mol, XLogP of 5.52, 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-chloro-6-cyanophenoxy)phenyl]-2-oxopyrrolidin-1-yl]-6-(oxolan-2-yl)pyridine-4-carboxamide is sourced from PubChem (CID 70966713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).