4-[2-oxo-2-(3-pyridin-2-yloxypyrrolidin-1-yl)ethoxy]benzamide

C18H19N3O4 — CID 136515317

IUPAC4-[2-oxo-2-(3-pyridin-2-yloxypyrrolidin-1-yl)ethoxy]benzamide
SMILESNC(=O)c1ccc(OCC(=O)N2CCC(Oc3ccccn3)C2)cc1
InChIInChI=1S/C18H19N3O4/c19-18(23)13-4-6-14(7-5-13)24-12-17(22)21-10-8-15(11-21)25-16-3-1-2-9-20-16/h1-7,9,15H,8,10-12H2,(H2,19,23)
InChIKeyQREPNNFHGGYSDO-UHFFFAOYSA-N
MW341.37 g/mol
LogP1.24
Rot. Bonds6

About 4-[2-oxo-2-(3-pyridin-2-yloxypyrrolidin-1-yl)ethoxy]benzamide

4-[2-oxo-2-(3-pyridin-2-yloxypyrrolidin-1-yl)ethoxy]benzamide (PubChem CID 136515317) has the molecular formula C18H19N3O4 and a molecular weight of 341.37 g/mol. Its IUPAC name is 4-[2-oxo-2-(3-pyridin-2-yloxypyrrolidin-1-yl)ethoxy]benzamide.

Molecular Properties

Compound Name4-[2-oxo-2-(3-pyridin-2-yloxypyrrolidin-1-yl)ethoxy]benzamide
PubChem CID136515317
Molecular FormulaC18H19N3O4
Molecular Weight341.37 g/mol
Exact Mass341.14
IUPAC Name4-[2-oxo-2-(3-pyridin-2-yloxypyrrolidin-1-yl)ethoxy]benzamide
SMILESNC(=O)c1ccc(OCC(=O)N2CCC(Oc3ccccn3)C2)cc1
InChIInChI=1S/C18H19N3O4/c19-18(23)13-4-6-14(7-5-13)24-12-17(22)21-10-8-15(11-21)25-16-3-1-2-9-20-16/h1-7,9,15H,8,10-12H2,(H2,19,23)
InChIKeyQREPNNFHGGYSDO-UHFFFAOYSA-N
XLogP1.24
TPSA94.75 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-chlorophenoxy)-1-(3-pyridazin-3-yloxypyrrolidin-1-yl)ethanone
CID 90638277
(3S)-1-[2-(4-pyridin-2-yloxyphenoxy)acetyl]pyrrolidine-3-carboxamide
CID 94512704
3,3,3-trifluoro-1-[(3R)-3-pyridin-2-yloxypyrrolidin-1-yl]propan-1-one
CID 129417057
4-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]benzamide
CID 18166061
2-ethoxy-1-(4-pyridin-2-yloxypiperidin-1-yl)ethanone
CID 71798598
(4-tert-butylphenyl)-[(3S)-3-pyridin-2-yloxypyrrolidin-1-yl]methanone
CID 129417459
2-(4-chlorophenoxy)-1-(3-pyridazin-3-yloxypiperidin-1-yl)ethanone
CID 91627663
2-(2-methylphenoxy)-1-(3-pyridin-2-yloxyazetidin-1-yl)ethanone
CID 122247163
(3,5-dimethoxyphenyl)-[(3R)-3-pyridin-2-yloxypyrrolidin-1-yl]methanone
CID 129417295
2-(4-ethylphenoxy)-1-[(3S)-3-phenoxypyrrolidin-1-yl]ethanone
CID 159433651
1-(4-pyridin-2-yloxypiperidin-1-yl)ethanone
CID 71798593
4-[1-(2-phenoxyacetyl)piperidin-3-yl]oxypyridine-2-carboxamide
CID 122256747

Frequently Asked Questions

What is the IUPAC name of 4-[2-oxo-2-(3-pyridin-2-yloxypyrrolidin-1-yl)ethoxy]benzamide?
The IUPAC name of 4-[2-oxo-2-(3-pyridin-2-yloxypyrrolidin-1-yl)ethoxy]benzamide (CID 136515317) is 4-[2-oxo-2-(3-pyridin-2-yloxypyrrolidin-1-yl)ethoxy]benzamide.
What is the SMILES notation for 4-[2-oxo-2-(3-pyridin-2-yloxypyrrolidin-1-yl)ethoxy]benzamide?
The canonical SMILES for 4-[2-oxo-2-(3-pyridin-2-yloxypyrrolidin-1-yl)ethoxy]benzamide is NC(=O)c1ccc(OCC(=O)N2CCC(Oc3ccccn3)C2)cc1.
What is the InChIKey of 4-[2-oxo-2-(3-pyridin-2-yloxypyrrolidin-1-yl)ethoxy]benzamide?
The InChIKey is QREPNNFHGGYSDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4/c19-18(23)13-4-6-14(7-5-13)24-12-17(22)21-10-8-15(11-21)25-16-3-1-2-9-20-16/h1-7,9,15H,8,10-12H2,(H2,19,23).
What are the key properties of 4-[2-oxo-2-(3-pyridin-2-yloxypyrrolidin-1-yl)ethoxy]benzamide?
4-[2-oxo-2-(3-pyridin-2-yloxypyrrolidin-1-yl)ethoxy]benzamide has a molecular weight of 341.37 g/mol, XLogP of 1.24, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-oxo-2-(3-pyridin-2-yloxypyrrolidin-1-yl)ethoxy]benzamide is sourced from PubChem (CID 136515317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).