methyl 6-(6,8-dioxo-2,7-diazaspiro[4.5]decan-2-yl)pyridine-2-carboxylate

C15H17N3O4 — CID 146198245

IUPACmethyl 6-(6,8-dioxo-2,7-diazaspiro[4.5]decan-2-yl)pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(N2CCC3(CCC(=O)NC3=O)C2)n1
InChIInChI=1S/C15H17N3O4/c1-22-13(20)10-3-2-4-11(16-10)18-8-7-15(9-18)6-5-12(19)17-14(15)21/h2-4H,5-9H2,1H3,(H,17,19,21)
InChIKeyCLLLSNBLTMBAMO-UHFFFAOYSA-N
MW303.32 g/mol
LogP0.50
Rot. Bonds2

About methyl 6-(6,8-dioxo-2,7-diazaspiro[4.5]decan-2-yl)pyridine-2-carboxylate

methyl 6-(6,8-dioxo-2,7-diazaspiro[4.5]decan-2-yl)pyridine-2-carboxylate (PubChem CID 146198245) has the molecular formula C15H17N3O4 and a molecular weight of 303.32 g/mol. Its IUPAC name is methyl 6-(6,8-dioxo-2,7-diazaspiro[4.5]decan-2-yl)pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-(6,8-dioxo-2,7-diazaspiro[4.5]decan-2-yl)pyridine-2-carboxylate
PubChem CID146198245
Molecular FormulaC15H17N3O4
Molecular Weight303.32 g/mol
Exact Mass303.12
IUPAC Namemethyl 6-(6,8-dioxo-2,7-diazaspiro[4.5]decan-2-yl)pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(N2CCC3(CCC(=O)NC3=O)C2)n1
InChIInChI=1S/C15H17N3O4/c1-22-13(20)10-3-2-4-11(16-10)18-8-7-15(9-18)6-5-12(19)17-14(15)21/h2-4H,5-9H2,1H3,(H,17,19,21)
InChIKeyCLLLSNBLTMBAMO-UHFFFAOYSA-N
XLogP0.50
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze methyl 6-(6,8-dioxo-2,7-diazaspiro[4.5]decan-2-yl)pyridine-2-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 6-(6,8-dioxo-2,7-diazaspiro[4.5]decan-2-yl)pyridine-2-carboxylate?
The IUPAC name of methyl 6-(6,8-dioxo-2,7-diazaspiro[4.5]decan-2-yl)pyridine-2-carboxylate (CID 146198245) is methyl 6-(6,8-dioxo-2,7-diazaspiro[4.5]decan-2-yl)pyridine-2-carboxylate.
What is the SMILES notation for methyl 6-(6,8-dioxo-2,7-diazaspiro[4.5]decan-2-yl)pyridine-2-carboxylate?
The canonical SMILES for methyl 6-(6,8-dioxo-2,7-diazaspiro[4.5]decan-2-yl)pyridine-2-carboxylate is COC(=O)c1cccc(N2CCC3(CCC(=O)NC3=O)C2)n1.
What is the InChIKey of methyl 6-(6,8-dioxo-2,7-diazaspiro[4.5]decan-2-yl)pyridine-2-carboxylate?
The InChIKey is CLLLSNBLTMBAMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O4/c1-22-13(20)10-3-2-4-11(16-10)18-8-7-15(9-18)6-5-12(19)17-14(15)21/h2-4H,5-9H2,1H3,(H,17,19,21).
What are the key properties of methyl 6-(6,8-dioxo-2,7-diazaspiro[4.5]decan-2-yl)pyridine-2-carboxylate?
methyl 6-(6,8-dioxo-2,7-diazaspiro[4.5]decan-2-yl)pyridine-2-carboxylate has a molecular weight of 303.32 g/mol, XLogP of 0.50, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(6,8-dioxo-2,7-diazaspiro[4.5]decan-2-yl)pyridine-2-carboxylate is sourced from PubChem (CID 146198245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).