4-amino-3H-pyridine-2,6-dione

C5H6N2O2 — CID 18687552

IUPAC4-amino-3H-pyridine-2,6-dione
SMILESNC1=CC(=O)NC(=O)C1
InChIInChI=1S/C5H6N2O2/c6-3-1-4(8)7-5(9)2-3/h1H,2,6H2,(H,7,8,9)
InChIKeyYZJUCSJIJAZADS-UHFFFAOYSA-N
MW126.11 g/mol
LogP-1.12
Rot. Bonds

About 4-amino-3H-pyridine-2,6-dione

4-amino-3H-pyridine-2,6-dione (PubChem CID 18687552) has the molecular formula C5H6N2O2 and a molecular weight of 126.11 g/mol. Its IUPAC name is 4-amino-3H-pyridine-2,6-dione.

Molecular Properties

Compound Name4-amino-3H-pyridine-2,6-dione
PubChem CID18687552
Molecular FormulaC5H6N2O2
Molecular Weight126.11 g/mol
Exact Mass126.04
IUPAC Name4-amino-3H-pyridine-2,6-dione
SMILESNC1=CC(=O)NC(=O)C1
InChIInChI=1S/C5H6N2O2/c6-3-1-4(8)7-5(9)2-3/h1H,2,6H2,(H,7,8,9)
InChIKeyYZJUCSJIJAZADS-UHFFFAOYSA-N
XLogP-1.12
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.11
LogP ≤ 5-1.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-3H-pyridine-2,6-dione?
The IUPAC name of 4-amino-3H-pyridine-2,6-dione (CID 18687552) is 4-amino-3H-pyridine-2,6-dione.
What is the SMILES notation for 4-amino-3H-pyridine-2,6-dione?
The canonical SMILES for 4-amino-3H-pyridine-2,6-dione is NC1=CC(=O)NC(=O)C1.
What is the InChIKey of 4-amino-3H-pyridine-2,6-dione?
The InChIKey is YZJUCSJIJAZADS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2O2/c6-3-1-4(8)7-5(9)2-3/h1H,2,6H2,(H,7,8,9).
What are the key properties of 4-amino-3H-pyridine-2,6-dione?
4-amino-3H-pyridine-2,6-dione has a molecular weight of 126.11 g/mol, XLogP of -1.12, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3H-pyridine-2,6-dione is sourced from PubChem (CID 18687552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).