2,4,6-trioxo-N-(6-oxo-1H-pyridin-3-yl)-1,3-diazinane-5-carboxamide

C10H8N4O5 — CID 130200223

IUPAC2,4,6-trioxo-N-(6-oxo-1H-pyridin-3-yl)-1,3-diazinane-5-carboxamide
SMILESO=C1NC(=O)C(C(=O)Nc2ccc(=O)[nH]c2)C(=O)N1
InChIInChI=1S/C10H8N4O5/c15-5-2-1-4(3-11-5)12-7(16)6-8(17)13-10(19)14-9(6)18/h1-3,6H,(H,11,15)(H,12,16)(H2,13,14,17,18,19)
InChIKeyMBMYBXAQLGQCJE-UHFFFAOYSA-N
MW264.20 g/mol
LogP-1.70
Rot. Bonds2

About 2,4,6-trioxo-N-(6-oxo-1H-pyridin-3-yl)-1,3-diazinane-5-carboxamide

2,4,6-trioxo-N-(6-oxo-1H-pyridin-3-yl)-1,3-diazinane-5-carboxamide (PubChem CID 130200223) has the molecular formula C10H8N4O5 and a molecular weight of 264.20 g/mol. Its IUPAC name is 2,4,6-trioxo-N-(6-oxo-1H-pyridin-3-yl)-1,3-diazinane-5-carboxamide.

Molecular Properties

Compound Name2,4,6-trioxo-N-(6-oxo-1H-pyridin-3-yl)-1,3-diazinane-5-carboxamide
PubChem CID130200223
Molecular FormulaC10H8N4O5
Molecular Weight264.20 g/mol
Exact Mass264.05
IUPAC Name2,4,6-trioxo-N-(6-oxo-1H-pyridin-3-yl)-1,3-diazinane-5-carboxamide
SMILESO=C1NC(=O)C(C(=O)Nc2ccc(=O)[nH]c2)C(=O)N1
InChIInChI=1S/C10H8N4O5/c15-5-2-1-4(3-11-5)12-7(16)6-8(17)13-10(19)14-9(6)18/h1-3,6H,(H,11,15)(H,12,16)(H2,13,14,17,18,19)
InChIKeyMBMYBXAQLGQCJE-UHFFFAOYSA-N
XLogP-1.70
TPSA137.23 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.20
LogP ≤ 5-1.70
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,4,6-trioxo-N-(6-oxo-1H-pyridin-3-yl)-1,3-diazinane-5-carboxamide?
The IUPAC name of 2,4,6-trioxo-N-(6-oxo-1H-pyridin-3-yl)-1,3-diazinane-5-carboxamide (CID 130200223) is 2,4,6-trioxo-N-(6-oxo-1H-pyridin-3-yl)-1,3-diazinane-5-carboxamide.
What is the SMILES notation for 2,4,6-trioxo-N-(6-oxo-1H-pyridin-3-yl)-1,3-diazinane-5-carboxamide?
The canonical SMILES for 2,4,6-trioxo-N-(6-oxo-1H-pyridin-3-yl)-1,3-diazinane-5-carboxamide is O=C1NC(=O)C(C(=O)Nc2ccc(=O)[nH]c2)C(=O)N1.
What is the InChIKey of 2,4,6-trioxo-N-(6-oxo-1H-pyridin-3-yl)-1,3-diazinane-5-carboxamide?
The InChIKey is MBMYBXAQLGQCJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N4O5/c15-5-2-1-4(3-11-5)12-7(16)6-8(17)13-10(19)14-9(6)18/h1-3,6H,(H,11,15)(H,12,16)(H2,13,14,17,18,19).
What are the key properties of 2,4,6-trioxo-N-(6-oxo-1H-pyridin-3-yl)-1,3-diazinane-5-carboxamide?
2,4,6-trioxo-N-(6-oxo-1H-pyridin-3-yl)-1,3-diazinane-5-carboxamide has a molecular weight of 264.20 g/mol, XLogP of -1.70, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trioxo-N-(6-oxo-1H-pyridin-3-yl)-1,3-diazinane-5-carboxamide is sourced from PubChem (CID 130200223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).