7-(5-hydroxypyridine-3-carbonyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione

C12H12N4O4 — CID 78996341

IUPAC7-(5-hydroxypyridine-3-carbonyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione
SMILESO=C1NC(=O)C2(CCN(C(=O)c3cncc(O)c3)C2)N1
InChIInChI=1S/C12H12N4O4/c17-8-3-7(4-13-5-8)9(18)16-2-1-12(6-16)10(19)14-11(20)15-12/h3-5,17H,1-2,6H2,(H2,14,15,19,20)
InChIKeyUZRYSRSGZOYJEW-UHFFFAOYSA-N
MW276.25 g/mol
LogP-0.79
Rot. Bonds1

About 7-(5-hydroxypyridine-3-carbonyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione

7-(5-hydroxypyridine-3-carbonyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione (PubChem CID 78996341) has the molecular formula C12H12N4O4 and a molecular weight of 276.25 g/mol. Its IUPAC name is 7-(5-hydroxypyridine-3-carbonyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione.

Molecular Properties

Compound Name7-(5-hydroxypyridine-3-carbonyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione
PubChem CID78996341
Molecular FormulaC12H12N4O4
Molecular Weight276.25 g/mol
Exact Mass276.09
IUPAC Name7-(5-hydroxypyridine-3-carbonyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione
SMILESO=C1NC(=O)C2(CCN(C(=O)c3cncc(O)c3)C2)N1
InChIInChI=1S/C12H12N4O4/c17-8-3-7(4-13-5-8)9(18)16-2-1-12(6-16)10(19)14-11(20)15-12/h3-5,17H,1-2,6H2,(H2,14,15,19,20)
InChIKeyUZRYSRSGZOYJEW-UHFFFAOYSA-N
XLogP-0.79
TPSA111.63 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.25
LogP ≤ 5-0.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

7-(5-fluoropyridine-3-carbonyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione
CID 115694744
7-(1H-pyrazole-4-carbonyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione
CID 78996239
7-(6-fluoropyridine-3-carbonyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione
CID 79210280
7-(3,5-dibromobenzoyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione
CID 103908737
7-(3-methylbenzoyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione
CID 78996277
7-(4-bromo-3-chlorobenzoyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione
CID 80998098
7-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione
CID 78996258
N-[4-(2,4-dioxo-1,3,7-triazaspiro[4.4]nonane-7-carbonyl)phenyl]acetamide
CID 147946816
8-(6-chloropyridine-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 60709573
(5S)-9-(thiophene-3-carbonyl)-1,3,9-triazaspiro[4.5]decane-2,4-dione
CID 129395464
7-(5-bromo-2-methylbenzoyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione
CID 79012195
7-(5-bromo-2-fluorobenzoyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione
CID 78995962

Frequently Asked Questions

What is the IUPAC name of 7-(5-hydroxypyridine-3-carbonyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione?
The IUPAC name of 7-(5-hydroxypyridine-3-carbonyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione (CID 78996341) is 7-(5-hydroxypyridine-3-carbonyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione.
What is the SMILES notation for 7-(5-hydroxypyridine-3-carbonyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione?
The canonical SMILES for 7-(5-hydroxypyridine-3-carbonyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione is O=C1NC(=O)C2(CCN(C(=O)c3cncc(O)c3)C2)N1.
What is the InChIKey of 7-(5-hydroxypyridine-3-carbonyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione?
The InChIKey is UZRYSRSGZOYJEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O4/c17-8-3-7(4-13-5-8)9(18)16-2-1-12(6-16)10(19)14-11(20)15-12/h3-5,17H,1-2,6H2,(H2,14,15,19,20).
What are the key properties of 7-(5-hydroxypyridine-3-carbonyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione?
7-(5-hydroxypyridine-3-carbonyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione has a molecular weight of 276.25 g/mol, XLogP of -0.79, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(5-hydroxypyridine-3-carbonyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione is sourced from PubChem (CID 78996341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).