7-(2,6-dimethyl-3-pyridinyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione

C13H13N3O3 — CID 112601247

IUPAC7-(2,6-dimethyl-3-pyridinyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione
SMILESCc1ccc(N2C(=O)NC(=O)C3(CC3)C2=O)c(C)n1
InChIInChI=1S/C13H13N3O3/c1-7-3-4-9(8(2)14-7)16-11(18)13(5-6-13)10(17)15-12(16)19/h3-4H,5-6H2,1-2H3,(H,15,17,19)
InChIKeyCNXUXTLQNBFHFS-UHFFFAOYSA-N
MW259.26 g/mol
LogP1.06
Rot. Bonds1

About 7-(2,6-dimethyl-3-pyridinyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione

7-(2,6-dimethyl-3-pyridinyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione (PubChem CID 112601247) has the molecular formula C13H13N3O3 and a molecular weight of 259.26 g/mol. Its IUPAC name is 7-(2,6-dimethyl-3-pyridinyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione.

Molecular Properties

Compound Name7-(2,6-dimethyl-3-pyridinyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione
PubChem CID112601247
Molecular FormulaC13H13N3O3
Molecular Weight259.26 g/mol
Exact Mass259.10
IUPAC Name7-(2,6-dimethyl-3-pyridinyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione
SMILESCc1ccc(N2C(=O)NC(=O)C3(CC3)C2=O)c(C)n1
InChIInChI=1S/C13H13N3O3/c1-7-3-4-9(8(2)14-7)16-11(18)13(5-6-13)10(17)15-12(16)19/h3-4H,5-6H2,1-2H3,(H,15,17,19)
InChIKeyCNXUXTLQNBFHFS-UHFFFAOYSA-N
XLogP1.06
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 7-(2,6-dimethyl-3-pyridinyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione?
The IUPAC name of 7-(2,6-dimethyl-3-pyridinyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione (CID 112601247) is 7-(2,6-dimethyl-3-pyridinyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione.
What is the SMILES notation for 7-(2,6-dimethyl-3-pyridinyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione?
The canonical SMILES for 7-(2,6-dimethyl-3-pyridinyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione is Cc1ccc(N2C(=O)NC(=O)C3(CC3)C2=O)c(C)n1.
What is the InChIKey of 7-(2,6-dimethyl-3-pyridinyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione?
The InChIKey is CNXUXTLQNBFHFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O3/c1-7-3-4-9(8(2)14-7)16-11(18)13(5-6-13)10(17)15-12(16)19/h3-4H,5-6H2,1-2H3,(H,15,17,19).
What are the key properties of 7-(2,6-dimethyl-3-pyridinyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione?
7-(2,6-dimethyl-3-pyridinyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione has a molecular weight of 259.26 g/mol, XLogP of 1.06, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,6-dimethyl-3-pyridinyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione is sourced from PubChem (CID 112601247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).