8-(pyridine-2-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

C13H14N4O3 — CID 47138301

IUPAC8-(pyridine-2-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESO=C1NC(=O)C2(CCN(C(=O)c3ccccn3)CC2)N1
InChIInChI=1S/C13H14N4O3/c18-10(9-3-1-2-6-14-9)17-7-4-13(5-8-17)11(19)15-12(20)16-13/h1-3,6H,4-5,7-8H2,(H2,15,16,19,20)
InChIKeyFRMYFJIWRDWSAN-UHFFFAOYSA-N
MW274.28 g/mol
LogP-0.10
Rot. Bonds1

About 8-(pyridine-2-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

8-(pyridine-2-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 47138301) has the molecular formula C13H14N4O3 and a molecular weight of 274.28 g/mol. Its IUPAC name is 8-(pyridine-2-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name8-(pyridine-2-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID47138301
Molecular FormulaC13H14N4O3
Molecular Weight274.28 g/mol
Exact Mass274.11
IUPAC Name8-(pyridine-2-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESO=C1NC(=O)C2(CCN(C(=O)c3ccccn3)CC2)N1
InChIInChI=1S/C13H14N4O3/c18-10(9-3-1-2-6-14-9)17-7-4-13(5-8-17)11(19)15-12(20)16-13/h1-3,6H,4-5,7-8H2,(H2,15,16,19,20)
InChIKeyFRMYFJIWRDWSAN-UHFFFAOYSA-N
XLogP-0.10
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

8-(2-pyridin-2-ylacetyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 62848964
8-(2-methyl-1,3-thiazole-4-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 47445313
8-(6-chloropyridine-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 60709573
8-(2-ethoxybenzoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 47017588
8-(4-aminobenzoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 60963106
4-(pyridine-2-carbonyl)piperazine-2,6-dione
CID 66085705
(1,1-dioxo-1,4-thiazinan-4-yl)-pyridin-2-ylmethanone
CID 110743458
8-(5-bromothiophene-2-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 47017586
8-(4-methylthiophene-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 79777233
(1-oxo-1,4-thiazinan-4-yl)-pyridin-2-ylmethanone
CID 110743476
(3S)-1'-(pyridine-2-carbonyl)spiro[4,5-dihydro-2H-2-benzazepine-3,3'-pyrrolidine]-1-one
CID 92576146
1-methyl-1'-(pyridine-2-carbonyl)spiro[indole-3,4'-piperidine]-2-one
CID 97375637

Frequently Asked Questions

What is the IUPAC name of 8-(pyridine-2-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 8-(pyridine-2-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 47138301) is 8-(pyridine-2-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 8-(pyridine-2-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 8-(pyridine-2-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is O=C1NC(=O)C2(CCN(C(=O)c3ccccn3)CC2)N1.
What is the InChIKey of 8-(pyridine-2-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is FRMYFJIWRDWSAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O3/c18-10(9-3-1-2-6-14-9)17-7-4-13(5-8-17)11(19)15-12(20)16-13/h1-3,6H,4-5,7-8H2,(H2,15,16,19,20).
What are the key properties of 8-(pyridine-2-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
8-(pyridine-2-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 274.28 g/mol, XLogP of -0.10, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(pyridine-2-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 47138301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).