7-[(2-methoxy-4-pyridinyl)methyl]-5,7-diazaspiro[2.5]octane-4,6,8-trione

C13H13N3O4 — CID 115948048

IUPAC7-[(2-methoxy-4-pyridinyl)methyl]-5,7-diazaspiro[2.5]octane-4,6,8-trione
SMILESCOc1cc(CN2C(=O)NC(=O)C3(CC3)C2=O)ccn1
InChIInChI=1S/C13H13N3O4/c1-20-9-6-8(2-5-14-9)7-16-11(18)13(3-4-13)10(17)15-12(16)19/h2,5-6H,3-4,7H2,1H3,(H,15,17,19)
InChIKeyPCICUFBCYJVZGE-UHFFFAOYSA-N
MW275.26 g/mol
LogP0.45
Rot. Bonds3

About 7-[(2-methoxy-4-pyridinyl)methyl]-5,7-diazaspiro[2.5]octane-4,6,8-trione

7-[(2-methoxy-4-pyridinyl)methyl]-5,7-diazaspiro[2.5]octane-4,6,8-trione (PubChem CID 115948048) has the molecular formula C13H13N3O4 and a molecular weight of 275.26 g/mol. Its IUPAC name is 7-[(2-methoxy-4-pyridinyl)methyl]-5,7-diazaspiro[2.5]octane-4,6,8-trione.

Molecular Properties

Compound Name7-[(2-methoxy-4-pyridinyl)methyl]-5,7-diazaspiro[2.5]octane-4,6,8-trione
PubChem CID115948048
Molecular FormulaC13H13N3O4
Molecular Weight275.26 g/mol
Exact Mass275.09
IUPAC Name7-[(2-methoxy-4-pyridinyl)methyl]-5,7-diazaspiro[2.5]octane-4,6,8-trione
SMILESCOc1cc(CN2C(=O)NC(=O)C3(CC3)C2=O)ccn1
InChIInChI=1S/C13H13N3O4/c1-20-9-6-8(2-5-14-9)7-16-11(18)13(3-4-13)10(17)15-12(16)19/h2,5-6H,3-4,7H2,1H3,(H,15,17,19)
InChIKeyPCICUFBCYJVZGE-UHFFFAOYSA-N
XLogP0.45
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.26
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 7-[(2-methoxy-4-pyridinyl)methyl]-5,7-diazaspiro[2.5]octane-4,6,8-trione 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 7-[(2-methoxy-4-pyridinyl)methyl]-5,7-diazaspiro[2.5]octane-4,6,8-trione?
The IUPAC name of 7-[(2-methoxy-4-pyridinyl)methyl]-5,7-diazaspiro[2.5]octane-4,6,8-trione (CID 115948048) is 7-[(2-methoxy-4-pyridinyl)methyl]-5,7-diazaspiro[2.5]octane-4,6,8-trione.
What is the SMILES notation for 7-[(2-methoxy-4-pyridinyl)methyl]-5,7-diazaspiro[2.5]octane-4,6,8-trione?
The canonical SMILES for 7-[(2-methoxy-4-pyridinyl)methyl]-5,7-diazaspiro[2.5]octane-4,6,8-trione is COc1cc(CN2C(=O)NC(=O)C3(CC3)C2=O)ccn1.
What is the InChIKey of 7-[(2-methoxy-4-pyridinyl)methyl]-5,7-diazaspiro[2.5]octane-4,6,8-trione?
The InChIKey is PCICUFBCYJVZGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O4/c1-20-9-6-8(2-5-14-9)7-16-11(18)13(3-4-13)10(17)15-12(16)19/h2,5-6H,3-4,7H2,1H3,(H,15,17,19).
What are the key properties of 7-[(2-methoxy-4-pyridinyl)methyl]-5,7-diazaspiro[2.5]octane-4,6,8-trione?
7-[(2-methoxy-4-pyridinyl)methyl]-5,7-diazaspiro[2.5]octane-4,6,8-trione has a molecular weight of 275.26 g/mol, XLogP of 0.45, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2-methoxy-4-pyridinyl)methyl]-5,7-diazaspiro[2.5]octane-4,6,8-trione is sourced from PubChem (CID 115948048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).