5-(5-oxo-1-pyridin-2-ylpyrazolidin-4-yl)-1H-pyridin-2-one

C13H12N4O2 — CID 141160109

IUPAC5-(5-oxo-1-pyridin-2-ylpyrazolidin-4-yl)-1H-pyridin-2-one
SMILESO=C1C(c2ccc(=O)[nH]c2)CNN1c1ccccn1
InChIInChI=1S/C13H12N4O2/c18-12-5-4-9(7-15-12)10-8-16-17(13(10)19)11-3-1-2-6-14-11/h1-7,10,16H,8H2,(H,15,18)
InChIKeySHULWJCOSMUBSH-UHFFFAOYSA-N
MW256.26 g/mol
LogP0.40
Rot. Bonds2

About 5-(5-oxo-1-pyridin-2-ylpyrazolidin-4-yl)-1H-pyridin-2-one

5-(5-oxo-1-pyridin-2-ylpyrazolidin-4-yl)-1H-pyridin-2-one (PubChem CID 141160109) has the molecular formula C13H12N4O2 and a molecular weight of 256.26 g/mol. Its IUPAC name is 5-(5-oxo-1-pyridin-2-ylpyrazolidin-4-yl)-1H-pyridin-2-one.

Molecular Properties

Compound Name5-(5-oxo-1-pyridin-2-ylpyrazolidin-4-yl)-1H-pyridin-2-one
PubChem CID141160109
Molecular FormulaC13H12N4O2
Molecular Weight256.26 g/mol
Exact Mass256.10
IUPAC Name5-(5-oxo-1-pyridin-2-ylpyrazolidin-4-yl)-1H-pyridin-2-one
SMILESO=C1C(c2ccc(=O)[nH]c2)CNN1c1ccccn1
InChIInChI=1S/C13H12N4O2/c18-12-5-4-9(7-15-12)10-8-16-17(13(10)19)11-3-1-2-6-14-11/h1-7,10,16H,8H2,(H,15,18)
InChIKeySHULWJCOSMUBSH-UHFFFAOYSA-N
XLogP0.40
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(5-oxo-1-pyridin-2-ylpyrazolidin-4-yl)-1H-pyridin-2-one?
The IUPAC name of 5-(5-oxo-1-pyridin-2-ylpyrazolidin-4-yl)-1H-pyridin-2-one (CID 141160109) is 5-(5-oxo-1-pyridin-2-ylpyrazolidin-4-yl)-1H-pyridin-2-one.
What is the SMILES notation for 5-(5-oxo-1-pyridin-2-ylpyrazolidin-4-yl)-1H-pyridin-2-one?
The canonical SMILES for 5-(5-oxo-1-pyridin-2-ylpyrazolidin-4-yl)-1H-pyridin-2-one is O=C1C(c2ccc(=O)[nH]c2)CNN1c1ccccn1.
What is the InChIKey of 5-(5-oxo-1-pyridin-2-ylpyrazolidin-4-yl)-1H-pyridin-2-one?
The InChIKey is SHULWJCOSMUBSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O2/c18-12-5-4-9(7-15-12)10-8-16-17(13(10)19)11-3-1-2-6-14-11/h1-7,10,16H,8H2,(H,15,18).
What are the key properties of 5-(5-oxo-1-pyridin-2-ylpyrazolidin-4-yl)-1H-pyridin-2-one?
5-(5-oxo-1-pyridin-2-ylpyrazolidin-4-yl)-1H-pyridin-2-one has a molecular weight of 256.26 g/mol, XLogP of 0.40, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-oxo-1-pyridin-2-ylpyrazolidin-4-yl)-1H-pyridin-2-one is sourced from PubChem (CID 141160109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).