2-[4-[4-chloro-2-(3,5-dimethylphenoxy)phenyl]-2-oxopyrrolidin-1-yl]pyridine-4-carboxamide

C24H22ClN3O3 — CID 70966724

IUPAC2-[4-[4-chloro-2-(3,5-dimethylphenoxy)phenyl]-2-oxopyrrolidin-1-yl]pyridine-4-carboxamide
SMILESCc1cc(C)cc(Oc2cc(Cl)ccc2C2CC(=O)N(c3cc(C(N)=O)ccn3)C2)c1
InChIInChI=1S/C24H22ClN3O3/c1-14-7-15(2)9-19(8-14)31-21-12-18(25)3-4-20(21)17-11-23(29)28(13-17)22-10-16(24(26)30)5-6-27-22/h3-10,12,17H,11,13H2,1-2H3,(H2,26,30)
InChIKeyOAAHBRJGUDCEAN-UHFFFAOYSA-N
MW435.91 g/mol
LogP4.76
Rot. Bonds5

About 2-[4-[4-chloro-2-(3,5-dimethylphenoxy)phenyl]-2-oxopyrrolidin-1-yl]pyridine-4-carboxamide

2-[4-[4-chloro-2-(3,5-dimethylphenoxy)phenyl]-2-oxopyrrolidin-1-yl]pyridine-4-carboxamide (PubChem CID 70966724) has the molecular formula C24H22ClN3O3 and a molecular weight of 435.91 g/mol. Its IUPAC name is 2-[4-[4-chloro-2-(3,5-dimethylphenoxy)phenyl]-2-oxopyrrolidin-1-yl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-[4-[4-chloro-2-(3,5-dimethylphenoxy)phenyl]-2-oxopyrrolidin-1-yl]pyridine-4-carboxamide
PubChem CID70966724
Molecular FormulaC24H22ClN3O3
Molecular Weight435.91 g/mol
Exact Mass435.13
IUPAC Name2-[4-[4-chloro-2-(3,5-dimethylphenoxy)phenyl]-2-oxopyrrolidin-1-yl]pyridine-4-carboxamide
SMILESCc1cc(C)cc(Oc2cc(Cl)ccc2C2CC(=O)N(c3cc(C(N)=O)ccn3)C2)c1
InChIInChI=1S/C24H22ClN3O3/c1-14-7-15(2)9-19(8-14)31-21-12-18(25)3-4-20(21)17-11-23(29)28(13-17)22-10-16(24(26)30)5-6-27-22/h3-10,12,17H,11,13H2,1-2H3,(H2,26,30)
InChIKeyOAAHBRJGUDCEAN-UHFFFAOYSA-N
XLogP4.76
TPSA85.52 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.91
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-chloro-2-(3,5-dimethylphenoxy)phenyl]-2-oxopyrrolidin-1-yl]pyridine-4-carboxamide?
The IUPAC name of 2-[4-[4-chloro-2-(3,5-dimethylphenoxy)phenyl]-2-oxopyrrolidin-1-yl]pyridine-4-carboxamide (CID 70966724) is 2-[4-[4-chloro-2-(3,5-dimethylphenoxy)phenyl]-2-oxopyrrolidin-1-yl]pyridine-4-carboxamide.
What is the SMILES notation for 2-[4-[4-chloro-2-(3,5-dimethylphenoxy)phenyl]-2-oxopyrrolidin-1-yl]pyridine-4-carboxamide?
The canonical SMILES for 2-[4-[4-chloro-2-(3,5-dimethylphenoxy)phenyl]-2-oxopyrrolidin-1-yl]pyridine-4-carboxamide is Cc1cc(C)cc(Oc2cc(Cl)ccc2C2CC(=O)N(c3cc(C(N)=O)ccn3)C2)c1.
What is the InChIKey of 2-[4-[4-chloro-2-(3,5-dimethylphenoxy)phenyl]-2-oxopyrrolidin-1-yl]pyridine-4-carboxamide?
The InChIKey is OAAHBRJGUDCEAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClN3O3/c1-14-7-15(2)9-19(8-14)31-21-12-18(25)3-4-20(21)17-11-23(29)28(13-17)22-10-16(24(26)30)5-6-27-22/h3-10,12,17H,11,13H2,1-2H3,(H2,26,30).
What are the key properties of 2-[4-[4-chloro-2-(3,5-dimethylphenoxy)phenyl]-2-oxopyrrolidin-1-yl]pyridine-4-carboxamide?
2-[4-[4-chloro-2-(3,5-dimethylphenoxy)phenyl]-2-oxopyrrolidin-1-yl]pyridine-4-carboxamide has a molecular weight of 435.91 g/mol, XLogP of 4.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-chloro-2-(3,5-dimethylphenoxy)phenyl]-2-oxopyrrolidin-1-yl]pyridine-4-carboxamide is sourced from PubChem (CID 70966724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).