3-[2-[6-(3-chlorophenoxy)-3-pyridinyl]-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione

C21H20ClN3O4 — CID 118366363

IUPAC3-[2-[6-(3-chlorophenoxy)-3-pyridinyl]-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESO=C(CN1C(=O)NC2(CCCCC2)C1=O)c1ccc(Oc2cccc(Cl)c2)nc1
InChIInChI=1S/C21H20ClN3O4/c22-15-5-4-6-16(11-15)29-18-8-7-14(12-23-18)17(26)13-25-19(27)21(24-20(25)28)9-2-1-3-10-21/h4-8,11-12H,1-3,9-10,13H2,(H,24,28)
InChIKeyZQJGTDHANXDEBW-UHFFFAOYSA-N
MW413.86 g/mol
LogP3.96
Rot. Bonds5

About 3-[2-[6-(3-chlorophenoxy)-3-pyridinyl]-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione

3-[2-[6-(3-chlorophenoxy)-3-pyridinyl]-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione (PubChem CID 118366363) has the molecular formula C21H20ClN3O4 and a molecular weight of 413.86 g/mol. Its IUPAC name is 3-[2-[6-(3-chlorophenoxy)-3-pyridinyl]-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name3-[2-[6-(3-chlorophenoxy)-3-pyridinyl]-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
PubChem CID118366363
Molecular FormulaC21H20ClN3O4
Molecular Weight413.86 g/mol
Exact Mass413.11
IUPAC Name3-[2-[6-(3-chlorophenoxy)-3-pyridinyl]-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESO=C(CN1C(=O)NC2(CCCCC2)C1=O)c1ccc(Oc2cccc(Cl)c2)nc1
InChIInChI=1S/C21H20ClN3O4/c22-15-5-4-6-16(11-15)29-18-8-7-14(12-23-18)17(26)13-25-19(27)21(24-20(25)28)9-2-1-3-10-21/h4-8,11-12H,1-3,9-10,13H2,(H,24,28)
InChIKeyZQJGTDHANXDEBW-UHFFFAOYSA-N
XLogP3.96
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.86
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-[2-[6-(3-chlorophenoxy)-3-pyridinyl]-2-oxoethyl]-1,3-diazaspiro[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 3-[2-[6-(3-chlorophenoxy)-3-pyridinyl]-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 3-[2-[6-(3-chlorophenoxy)-3-pyridinyl]-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione (CID 118366363) is 3-[2-[6-(3-chlorophenoxy)-3-pyridinyl]-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 3-[2-[6-(3-chlorophenoxy)-3-pyridinyl]-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 3-[2-[6-(3-chlorophenoxy)-3-pyridinyl]-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione is O=C(CN1C(=O)NC2(CCCCC2)C1=O)c1ccc(Oc2cccc(Cl)c2)nc1.
What is the InChIKey of 3-[2-[6-(3-chlorophenoxy)-3-pyridinyl]-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
The InChIKey is ZQJGTDHANXDEBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O4/c22-15-5-4-6-16(11-15)29-18-8-7-14(12-23-18)17(26)13-25-19(27)21(24-20(25)28)9-2-1-3-10-21/h4-8,11-12H,1-3,9-10,13H2,(H,24,28).
What are the key properties of 3-[2-[6-(3-chlorophenoxy)-3-pyridinyl]-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
3-[2-[6-(3-chlorophenoxy)-3-pyridinyl]-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione has a molecular weight of 413.86 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[6-(3-chlorophenoxy)-3-pyridinyl]-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 118366363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).