2-(2-oxo-4-pyridin-3-ylpyrrolidin-1-yl)butanamide

C13H17N3O2 — CID 22387190

IUPAC2-(2-oxo-4-pyridin-3-ylpyrrolidin-1-yl)butanamide
SMILESCCC(C(N)=O)N1CC(c2cccnc2)CC1=O
InChIInChI=1S/C13H17N3O2/c1-2-11(13(14)18)16-8-10(6-12(16)17)9-4-3-5-15-7-9/h3-5,7,10-11H,2,6,8H2,1H3,(H2,14,18)
InChIKeyWCFSNOUAIPGJNH-UHFFFAOYSA-N
MW247.30 g/mol
LogP0.66
Rot. Bonds4

About 2-(2-oxo-4-pyridin-3-ylpyrrolidin-1-yl)butanamide

2-(2-oxo-4-pyridin-3-ylpyrrolidin-1-yl)butanamide (PubChem CID 22387190) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 2-(2-oxo-4-pyridin-3-ylpyrrolidin-1-yl)butanamide.

Molecular Properties

Compound Name2-(2-oxo-4-pyridin-3-ylpyrrolidin-1-yl)butanamide
PubChem CID22387190
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name2-(2-oxo-4-pyridin-3-ylpyrrolidin-1-yl)butanamide
SMILESCCC(C(N)=O)N1CC(c2cccnc2)CC1=O
InChIInChI=1S/C13H17N3O2/c1-2-11(13(14)18)16-8-10(6-12(16)17)9-4-3-5-15-7-9/h3-5,7,10-11H,2,6,8H2,1H3,(H2,14,18)
InChIKeyWCFSNOUAIPGJNH-UHFFFAOYSA-N
XLogP0.66
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-oxo-4-pyridin-3-ylpyrrolidin-1-yl)butanamide?
The IUPAC name of 2-(2-oxo-4-pyridin-3-ylpyrrolidin-1-yl)butanamide (CID 22387190) is 2-(2-oxo-4-pyridin-3-ylpyrrolidin-1-yl)butanamide.
What is the SMILES notation for 2-(2-oxo-4-pyridin-3-ylpyrrolidin-1-yl)butanamide?
The canonical SMILES for 2-(2-oxo-4-pyridin-3-ylpyrrolidin-1-yl)butanamide is CCC(C(N)=O)N1CC(c2cccnc2)CC1=O.
What is the InChIKey of 2-(2-oxo-4-pyridin-3-ylpyrrolidin-1-yl)butanamide?
The InChIKey is WCFSNOUAIPGJNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-2-11(13(14)18)16-8-10(6-12(16)17)9-4-3-5-15-7-9/h3-5,7,10-11H,2,6,8H2,1H3,(H2,14,18).
What are the key properties of 2-(2-oxo-4-pyridin-3-ylpyrrolidin-1-yl)butanamide?
2-(2-oxo-4-pyridin-3-ylpyrrolidin-1-yl)butanamide has a molecular weight of 247.30 g/mol, XLogP of 0.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxo-4-pyridin-3-ylpyrrolidin-1-yl)butanamide is sourced from PubChem (CID 22387190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).