5-[4-[3-(2-carbamoylphenoxy)-4-methoxyphenyl]-2-oxopyrrolidin-1-yl]pyridine-3-carboxamide

C24H22N4O5 — CID 68828373

IUPAC5-[4-[3-(2-carbamoylphenoxy)-4-methoxyphenyl]-2-oxopyrrolidin-1-yl]pyridine-3-carboxamide
SMILESCOc1ccc(C2CC(=O)N(c3cncc(C(N)=O)c3)C2)cc1Oc1ccccc1C(N)=O
InChIInChI=1S/C24H22N4O5/c1-32-20-7-6-14(9-21(20)33-19-5-3-2-4-18(19)24(26)31)16-10-22(29)28(13-16)17-8-15(23(25)30)11-27-12-17/h2-9,11-12,16H,10,13H2,1H3,(H2,25,30)(H2,26,31)
InChIKeyLKOWLAQJVAZDHL-UHFFFAOYSA-N
MW446.46 g/mol
LogP2.60
Rot. Bonds7

About 5-[4-[3-(2-carbamoylphenoxy)-4-methoxyphenyl]-2-oxopyrrolidin-1-yl]pyridine-3-carboxamide

5-[4-[3-(2-carbamoylphenoxy)-4-methoxyphenyl]-2-oxopyrrolidin-1-yl]pyridine-3-carboxamide (PubChem CID 68828373) has the molecular formula C24H22N4O5 and a molecular weight of 446.46 g/mol. Its IUPAC name is 5-[4-[3-(2-carbamoylphenoxy)-4-methoxyphenyl]-2-oxopyrrolidin-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[4-[3-(2-carbamoylphenoxy)-4-methoxyphenyl]-2-oxopyrrolidin-1-yl]pyridine-3-carboxamide
PubChem CID68828373
Molecular FormulaC24H22N4O5
Molecular Weight446.46 g/mol
Exact Mass446.16
IUPAC Name5-[4-[3-(2-carbamoylphenoxy)-4-methoxyphenyl]-2-oxopyrrolidin-1-yl]pyridine-3-carboxamide
SMILESCOc1ccc(C2CC(=O)N(c3cncc(C(N)=O)c3)C2)cc1Oc1ccccc1C(N)=O
InChIInChI=1S/C24H22N4O5/c1-32-20-7-6-14(9-21(20)33-19-5-3-2-4-18(19)24(26)31)16-10-22(29)28(13-16)17-8-15(23(25)30)11-27-12-17/h2-9,11-12,16H,10,13H2,1H3,(H2,25,30)(H2,26,31)
InChIKeyLKOWLAQJVAZDHL-UHFFFAOYSA-N
XLogP2.60
TPSA137.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.46
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[3-(2-carbamoylphenoxy)-4-methoxyphenyl]-2-oxopyrrolidin-1-yl]pyridine-3-carboxamide?
The IUPAC name of 5-[4-[3-(2-carbamoylphenoxy)-4-methoxyphenyl]-2-oxopyrrolidin-1-yl]pyridine-3-carboxamide (CID 68828373) is 5-[4-[3-(2-carbamoylphenoxy)-4-methoxyphenyl]-2-oxopyrrolidin-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for 5-[4-[3-(2-carbamoylphenoxy)-4-methoxyphenyl]-2-oxopyrrolidin-1-yl]pyridine-3-carboxamide?
The canonical SMILES for 5-[4-[3-(2-carbamoylphenoxy)-4-methoxyphenyl]-2-oxopyrrolidin-1-yl]pyridine-3-carboxamide is COc1ccc(C2CC(=O)N(c3cncc(C(N)=O)c3)C2)cc1Oc1ccccc1C(N)=O.
What is the InChIKey of 5-[4-[3-(2-carbamoylphenoxy)-4-methoxyphenyl]-2-oxopyrrolidin-1-yl]pyridine-3-carboxamide?
The InChIKey is LKOWLAQJVAZDHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O5/c1-32-20-7-6-14(9-21(20)33-19-5-3-2-4-18(19)24(26)31)16-10-22(29)28(13-16)17-8-15(23(25)30)11-27-12-17/h2-9,11-12,16H,10,13H2,1H3,(H2,25,30)(H2,26,31).
What are the key properties of 5-[4-[3-(2-carbamoylphenoxy)-4-methoxyphenyl]-2-oxopyrrolidin-1-yl]pyridine-3-carboxamide?
5-[4-[3-(2-carbamoylphenoxy)-4-methoxyphenyl]-2-oxopyrrolidin-1-yl]pyridine-3-carboxamide has a molecular weight of 446.46 g/mol, XLogP of 2.60, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[3-(2-carbamoylphenoxy)-4-methoxyphenyl]-2-oxopyrrolidin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 68828373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).