9-(6-methyl-3-pyridinyl)-7,9-diazaspiro[4.5]decane-6,8,10-trione

C14H15N3O3 — CID 115948843

IUPAC9-(6-methyl-3-pyridinyl)-7,9-diazaspiro[4.5]decane-6,8,10-trione
SMILESCc1ccc(N2C(=O)NC(=O)C3(CCCC3)C2=O)cn1
InChIInChI=1S/C14H15N3O3/c1-9-4-5-10(8-15-9)17-12(19)14(6-2-3-7-14)11(18)16-13(17)20/h4-5,8H,2-3,6-7H2,1H3,(H,16,18,20)
InChIKeyWIYVWAZONIQEQU-UHFFFAOYSA-N
MW273.29 g/mol
LogP1.53
Rot. Bonds1

About 9-(6-methyl-3-pyridinyl)-7,9-diazaspiro[4.5]decane-6,8,10-trione

9-(6-methyl-3-pyridinyl)-7,9-diazaspiro[4.5]decane-6,8,10-trione (PubChem CID 115948843) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is 9-(6-methyl-3-pyridinyl)-7,9-diazaspiro[4.5]decane-6,8,10-trione.

Molecular Properties

Compound Name9-(6-methyl-3-pyridinyl)-7,9-diazaspiro[4.5]decane-6,8,10-trione
PubChem CID115948843
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Name9-(6-methyl-3-pyridinyl)-7,9-diazaspiro[4.5]decane-6,8,10-trione
SMILESCc1ccc(N2C(=O)NC(=O)C3(CCCC3)C2=O)cn1
InChIInChI=1S/C14H15N3O3/c1-9-4-5-10(8-15-9)17-12(19)14(6-2-3-7-14)11(18)16-13(17)20/h4-5,8H,2-3,6-7H2,1H3,(H,16,18,20)
InChIKeyWIYVWAZONIQEQU-UHFFFAOYSA-N
XLogP1.53
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 51.53
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 9-(6-methyl-3-pyridinyl)-7,9-diazaspiro[4.5]decane-6,8,10-trione?
The IUPAC name of 9-(6-methyl-3-pyridinyl)-7,9-diazaspiro[4.5]decane-6,8,10-trione (CID 115948843) is 9-(6-methyl-3-pyridinyl)-7,9-diazaspiro[4.5]decane-6,8,10-trione.
What is the SMILES notation for 9-(6-methyl-3-pyridinyl)-7,9-diazaspiro[4.5]decane-6,8,10-trione?
The canonical SMILES for 9-(6-methyl-3-pyridinyl)-7,9-diazaspiro[4.5]decane-6,8,10-trione is Cc1ccc(N2C(=O)NC(=O)C3(CCCC3)C2=O)cn1.
What is the InChIKey of 9-(6-methyl-3-pyridinyl)-7,9-diazaspiro[4.5]decane-6,8,10-trione?
The InChIKey is WIYVWAZONIQEQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-9-4-5-10(8-15-9)17-12(19)14(6-2-3-7-14)11(18)16-13(17)20/h4-5,8H,2-3,6-7H2,1H3,(H,16,18,20).
What are the key properties of 9-(6-methyl-3-pyridinyl)-7,9-diazaspiro[4.5]decane-6,8,10-trione?
9-(6-methyl-3-pyridinyl)-7,9-diazaspiro[4.5]decane-6,8,10-trione has a molecular weight of 273.29 g/mol, XLogP of 1.53, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(6-methyl-3-pyridinyl)-7,9-diazaspiro[4.5]decane-6,8,10-trione is sourced from PubChem (CID 115948843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).