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

C17H17N3O3 — CID 6460702

IUPAC1-(4-methoxyphenyl)-5-oxo-N-pyridin-3-ylpyrrolidine-3-carboxamide
SMILESCOc1ccc(N2CC(C(=O)Nc3cccnc3)CC2=O)cc1
InChIInChI=1S/C17H17N3O3/c1-23-15-6-4-14(5-7-15)20-11-12(9-16(20)21)17(22)19-13-3-2-8-18-10-13/h2-8,10,12H,9,11H2,1H3,(H,19,22)
InChIKeyIAQOUOWRSXLFKU-UHFFFAOYSA-N
MW311.34 g/mol
LogP2.08
Rot. Bonds4

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

1-(4-methoxyphenyl)-5-oxo-N-pyridin-3-ylpyrrolidine-3-carboxamide (PubChem CID 6460702) has the molecular formula C17H17N3O3 and a molecular weight of 311.34 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-5-oxo-N-pyridin-3-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-5-oxo-N-pyridin-3-ylpyrrolidine-3-carboxamide
PubChem CID6460702
Molecular FormulaC17H17N3O3
Molecular Weight311.34 g/mol
Exact Mass311.13
IUPAC Name1-(4-methoxyphenyl)-5-oxo-N-pyridin-3-ylpyrrolidine-3-carboxamide
SMILESCOc1ccc(N2CC(C(=O)Nc3cccnc3)CC2=O)cc1
InChIInChI=1S/C17H17N3O3/c1-23-15-6-4-14(5-7-15)20-11-12(9-16(20)21)17(22)19-13-3-2-8-18-10-13/h2-8,10,12H,9,11H2,1H3,(H,19,22)
InChIKeyIAQOUOWRSXLFKU-UHFFFAOYSA-N
XLogP2.08
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-5-oxo-N-pyridin-3-ylpyrrolidine-3-carboxamide?
The IUPAC name of 1-(4-methoxyphenyl)-5-oxo-N-pyridin-3-ylpyrrolidine-3-carboxamide (CID 6460702) is 1-(4-methoxyphenyl)-5-oxo-N-pyridin-3-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(4-methoxyphenyl)-5-oxo-N-pyridin-3-ylpyrrolidine-3-carboxamide?
The canonical SMILES for 1-(4-methoxyphenyl)-5-oxo-N-pyridin-3-ylpyrrolidine-3-carboxamide is COc1ccc(N2CC(C(=O)Nc3cccnc3)CC2=O)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-5-oxo-N-pyridin-3-ylpyrrolidine-3-carboxamide?
The InChIKey is IAQOUOWRSXLFKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3/c1-23-15-6-4-14(5-7-15)20-11-12(9-16(20)21)17(22)19-13-3-2-8-18-10-13/h2-8,10,12H,9,11H2,1H3,(H,19,22).
What are the key properties of 1-(4-methoxyphenyl)-5-oxo-N-pyridin-3-ylpyrrolidine-3-carboxamide?
1-(4-methoxyphenyl)-5-oxo-N-pyridin-3-ylpyrrolidine-3-carboxamide has a molecular weight of 311.34 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-5-oxo-N-pyridin-3-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 6460702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).