3-[(5-amino-2-oxo-1-pyridinyl)methyl]piperidine-2,6-dione

C11H13N3O3 — CID 177240454

IUPAC3-[(5-amino-2-oxo-1-pyridinyl)methyl]piperidine-2,6-dione
SMILESNc1ccc(=O)n(CC2CCC(=O)NC2=O)c1
InChIInChI=1S/C11H13N3O3/c12-8-2-4-10(16)14(6-8)5-7-1-3-9(15)13-11(7)17/h2,4,6-7H,1,3,5,12H2,(H,13,15,17)
InChIKeyFYSMWASHINRZQM-UHFFFAOYSA-N
MW235.24 g/mol
LogP-0.52
Rot. Bonds2

About 3-[(5-amino-2-oxo-1-pyridinyl)methyl]piperidine-2,6-dione

3-[(5-amino-2-oxo-1-pyridinyl)methyl]piperidine-2,6-dione (PubChem CID 177240454) has the molecular formula C11H13N3O3 and a molecular weight of 235.24 g/mol. Its IUPAC name is 3-[(5-amino-2-oxo-1-pyridinyl)methyl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[(5-amino-2-oxo-1-pyridinyl)methyl]piperidine-2,6-dione
PubChem CID177240454
Molecular FormulaC11H13N3O3
Molecular Weight235.24 g/mol
Exact Mass235.10
IUPAC Name3-[(5-amino-2-oxo-1-pyridinyl)methyl]piperidine-2,6-dione
SMILESNc1ccc(=O)n(CC2CCC(=O)NC2=O)c1
InChIInChI=1S/C11H13N3O3/c12-8-2-4-10(16)14(6-8)5-7-1-3-9(15)13-11(7)17/h2,4,6-7H,1,3,5,12H2,(H,13,15,17)
InChIKeyFYSMWASHINRZQM-UHFFFAOYSA-N
XLogP-0.52
TPSA94.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 5-0.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-amino-2-oxo-1-pyridinyl)methyl]piperidine-2,6-dione?
The IUPAC name of 3-[(5-amino-2-oxo-1-pyridinyl)methyl]piperidine-2,6-dione (CID 177240454) is 3-[(5-amino-2-oxo-1-pyridinyl)methyl]piperidine-2,6-dione.
What is the SMILES notation for 3-[(5-amino-2-oxo-1-pyridinyl)methyl]piperidine-2,6-dione?
The canonical SMILES for 3-[(5-amino-2-oxo-1-pyridinyl)methyl]piperidine-2,6-dione is Nc1ccc(=O)n(CC2CCC(=O)NC2=O)c1.
What is the InChIKey of 3-[(5-amino-2-oxo-1-pyridinyl)methyl]piperidine-2,6-dione?
The InChIKey is FYSMWASHINRZQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3/c12-8-2-4-10(16)14(6-8)5-7-1-3-9(15)13-11(7)17/h2,4,6-7H,1,3,5,12H2,(H,13,15,17).
What are the key properties of 3-[(5-amino-2-oxo-1-pyridinyl)methyl]piperidine-2,6-dione?
3-[(5-amino-2-oxo-1-pyridinyl)methyl]piperidine-2,6-dione has a molecular weight of 235.24 g/mol, XLogP of -0.52, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-amino-2-oxo-1-pyridinyl)methyl]piperidine-2,6-dione is sourced from PubChem (CID 177240454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).