8-(6-chloropyridine-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

C13H13ClN4O3 — CID 60709573

IUPAC8-(6-chloropyridine-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESO=C1NC(=O)C2(CCN(C(=O)c3ccc(Cl)nc3)CC2)N1
InChIInChI=1S/C13H13ClN4O3/c14-9-2-1-8(7-15-9)10(19)18-5-3-13(4-6-18)11(20)16-12(21)17-13/h1-2,7H,3-6H2,(H2,16,17,20,21)
InChIKeyREKLHXHUAHZBEY-UHFFFAOYSA-N
MW308.72 g/mol
LogP0.55
Rot. Bonds1

About 8-(6-chloropyridine-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

8-(6-chloropyridine-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 60709573) has the molecular formula C13H13ClN4O3 and a molecular weight of 308.72 g/mol. Its IUPAC name is 8-(6-chloropyridine-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name8-(6-chloropyridine-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID60709573
Molecular FormulaC13H13ClN4O3
Molecular Weight308.72 g/mol
Exact Mass308.07
IUPAC Name8-(6-chloropyridine-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESO=C1NC(=O)C2(CCN(C(=O)c3ccc(Cl)nc3)CC2)N1
InChIInChI=1S/C13H13ClN4O3/c14-9-2-1-8(7-15-9)10(19)18-5-3-13(4-6-18)11(20)16-12(21)17-13/h1-2,7H,3-6H2,(H2,16,17,20,21)
InChIKeyREKLHXHUAHZBEY-UHFFFAOYSA-N
XLogP0.55
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.72
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

Analyze 8-(6-chloropyridine-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-(6-chloropyridine-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 8-(6-chloropyridine-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 60709573) is 8-(6-chloropyridine-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 8-(6-chloropyridine-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 8-(6-chloropyridine-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is O=C1NC(=O)C2(CCN(C(=O)c3ccc(Cl)nc3)CC2)N1.
What is the InChIKey of 8-(6-chloropyridine-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is REKLHXHUAHZBEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN4O3/c14-9-2-1-8(7-15-9)10(19)18-5-3-13(4-6-18)11(20)16-12(21)17-13/h1-2,7H,3-6H2,(H2,16,17,20,21).
What are the key properties of 8-(6-chloropyridine-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
8-(6-chloropyridine-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 308.72 g/mol, XLogP of 0.55, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(6-chloropyridine-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 60709573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).