1-(4-ethoxyphenyl)-5-oxo-N-pyridin-2-ylpyrrolidine-3-carboxamide

C18H19N3O3 — CID 3155552

IUPAC1-(4-ethoxyphenyl)-5-oxo-N-pyridin-2-ylpyrrolidine-3-carboxamide
SMILESCCOc1ccc(N2CC(C(=O)Nc3ccccn3)CC2=O)cc1
InChIInChI=1S/C18H19N3O3/c1-2-24-15-8-6-14(7-9-15)21-12-13(11-17(21)22)18(23)20-16-5-3-4-10-19-16/h3-10,13H,2,11-12H2,1H3,(H,19,20,23)
InChIKeyIPWXXXFZAGQTSB-UHFFFAOYSA-N
MW325.37 g/mol
LogP2.47
Rot. Bonds5

About 1-(4-ethoxyphenyl)-5-oxo-N-pyridin-2-ylpyrrolidine-3-carboxamide

1-(4-ethoxyphenyl)-5-oxo-N-pyridin-2-ylpyrrolidine-3-carboxamide (PubChem CID 3155552) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-5-oxo-N-pyridin-2-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-5-oxo-N-pyridin-2-ylpyrrolidine-3-carboxamide
PubChem CID3155552
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC Name1-(4-ethoxyphenyl)-5-oxo-N-pyridin-2-ylpyrrolidine-3-carboxamide
SMILESCCOc1ccc(N2CC(C(=O)Nc3ccccn3)CC2=O)cc1
InChIInChI=1S/C18H19N3O3/c1-2-24-15-8-6-14(7-9-15)21-12-13(11-17(21)22)18(23)20-16-5-3-4-10-19-16/h3-10,13H,2,11-12H2,1H3,(H,19,20,23)
InChIKeyIPWXXXFZAGQTSB-UHFFFAOYSA-N
XLogP2.47
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-5-oxo-N-pyridin-2-ylpyrrolidine-3-carboxamide?
The IUPAC name of 1-(4-ethoxyphenyl)-5-oxo-N-pyridin-2-ylpyrrolidine-3-carboxamide (CID 3155552) is 1-(4-ethoxyphenyl)-5-oxo-N-pyridin-2-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(4-ethoxyphenyl)-5-oxo-N-pyridin-2-ylpyrrolidine-3-carboxamide?
The canonical SMILES for 1-(4-ethoxyphenyl)-5-oxo-N-pyridin-2-ylpyrrolidine-3-carboxamide is CCOc1ccc(N2CC(C(=O)Nc3ccccn3)CC2=O)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-5-oxo-N-pyridin-2-ylpyrrolidine-3-carboxamide?
The InChIKey is IPWXXXFZAGQTSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3/c1-2-24-15-8-6-14(7-9-15)21-12-13(11-17(21)22)18(23)20-16-5-3-4-10-19-16/h3-10,13H,2,11-12H2,1H3,(H,19,20,23).
What are the key properties of 1-(4-ethoxyphenyl)-5-oxo-N-pyridin-2-ylpyrrolidine-3-carboxamide?
1-(4-ethoxyphenyl)-5-oxo-N-pyridin-2-ylpyrrolidine-3-carboxamide has a molecular weight of 325.37 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-5-oxo-N-pyridin-2-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 3155552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).