N-(2,6-dioxopiperidin-3-yl)-2-oxo-3H-pyridine-6-carboxamide

C11H11N3O4 — CID 156502092

IUPACN-(2,6-dioxopiperidin-3-yl)-2-oxo-3H-pyridine-6-carboxamide
SMILESO=C1CC=CC(C(=O)NC2CCC(=O)NC2=O)=N1
InChIInChI=1S/C11H11N3O4/c15-8-3-1-2-6(12-8)10(17)13-7-4-5-9(16)14-11(7)18/h1-2,7H,3-5H2,(H,13,17)(H,14,16,18)
InChIKeyPJJFNYRIHXJEOA-UHFFFAOYSA-N
MW249.23 g/mol
LogP-1.16
Rot. Bonds2

About N-(2,6-dioxopiperidin-3-yl)-2-oxo-3H-pyridine-6-carboxamide

N-(2,6-dioxopiperidin-3-yl)-2-oxo-3H-pyridine-6-carboxamide (PubChem CID 156502092) has the molecular formula C11H11N3O4 and a molecular weight of 249.23 g/mol. Its IUPAC name is N-(2,6-dioxopiperidin-3-yl)-2-oxo-3H-pyridine-6-carboxamide.

Molecular Properties

Compound NameN-(2,6-dioxopiperidin-3-yl)-2-oxo-3H-pyridine-6-carboxamide
PubChem CID156502092
Molecular FormulaC11H11N3O4
Molecular Weight249.23 g/mol
Exact Mass249.07
IUPAC NameN-(2,6-dioxopiperidin-3-yl)-2-oxo-3H-pyridine-6-carboxamide
SMILESO=C1CC=CC(C(=O)NC2CCC(=O)NC2=O)=N1
InChIInChI=1S/C11H11N3O4/c15-8-3-1-2-6(12-8)10(17)13-7-4-5-9(16)14-11(7)18/h1-2,7H,3-5H2,(H,13,17)(H,14,16,18)
InChIKeyPJJFNYRIHXJEOA-UHFFFAOYSA-N
XLogP-1.16
TPSA104.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.23
LogP ≤ 5-1.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-dioxopiperidin-3-yl)-2-oxo-3H-pyridine-6-carboxamide?
The IUPAC name of N-(2,6-dioxopiperidin-3-yl)-2-oxo-3H-pyridine-6-carboxamide (CID 156502092) is N-(2,6-dioxopiperidin-3-yl)-2-oxo-3H-pyridine-6-carboxamide.
What is the SMILES notation for N-(2,6-dioxopiperidin-3-yl)-2-oxo-3H-pyridine-6-carboxamide?
The canonical SMILES for N-(2,6-dioxopiperidin-3-yl)-2-oxo-3H-pyridine-6-carboxamide is O=C1CC=CC(C(=O)NC2CCC(=O)NC2=O)=N1.
What is the InChIKey of N-(2,6-dioxopiperidin-3-yl)-2-oxo-3H-pyridine-6-carboxamide?
The InChIKey is PJJFNYRIHXJEOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O4/c15-8-3-1-2-6(12-8)10(17)13-7-4-5-9(16)14-11(7)18/h1-2,7H,3-5H2,(H,13,17)(H,14,16,18).
What are the key properties of N-(2,6-dioxopiperidin-3-yl)-2-oxo-3H-pyridine-6-carboxamide?
N-(2,6-dioxopiperidin-3-yl)-2-oxo-3H-pyridine-6-carboxamide has a molecular weight of 249.23 g/mol, XLogP of -1.16, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dioxopiperidin-3-yl)-2-oxo-3H-pyridine-6-carboxamide is sourced from PubChem (CID 156502092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).