methyl 6-(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)pyridine-3-carboxylate

C14H16N4O4 — CID 146189653

IUPACmethyl 6-(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(N2CCC3(CC2)NC(=O)NC3=O)nc1
InChIInChI=1S/C14H16N4O4/c1-22-11(19)9-2-3-10(15-8-9)18-6-4-14(5-7-18)12(20)16-13(21)17-14/h2-3,8H,4-7H2,1H3,(H2,16,17,20,21)
InChIKeyJEMKXWPYGUBKAE-UHFFFAOYSA-N
MW304.31 g/mol
LogP0.05
Rot. Bonds2

About methyl 6-(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)pyridine-3-carboxylate

methyl 6-(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)pyridine-3-carboxylate (PubChem CID 146189653) has the molecular formula C14H16N4O4 and a molecular weight of 304.31 g/mol. Its IUPAC name is methyl 6-(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)pyridine-3-carboxylate
PubChem CID146189653
Molecular FormulaC14H16N4O4
Molecular Weight304.31 g/mol
Exact Mass304.12
IUPAC Namemethyl 6-(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(N2CCC3(CC2)NC(=O)NC3=O)nc1
InChIInChI=1S/C14H16N4O4/c1-22-11(19)9-2-3-10(15-8-9)18-6-4-14(5-7-18)12(20)16-13(21)17-14/h2-3,8H,4-7H2,1H3,(H2,16,17,20,21)
InChIKeyJEMKXWPYGUBKAE-UHFFFAOYSA-N
XLogP0.05
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.31
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze methyl 6-(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)pyridine-3-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 6-(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)pyridine-3-carboxylate?
The IUPAC name of methyl 6-(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)pyridine-3-carboxylate (CID 146189653) is methyl 6-(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)pyridine-3-carboxylate?
The canonical SMILES for methyl 6-(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)pyridine-3-carboxylate is COC(=O)c1ccc(N2CCC3(CC2)NC(=O)NC3=O)nc1.
What is the InChIKey of methyl 6-(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)pyridine-3-carboxylate?
The InChIKey is JEMKXWPYGUBKAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O4/c1-22-11(19)9-2-3-10(15-8-9)18-6-4-14(5-7-18)12(20)16-13(21)17-14/h2-3,8H,4-7H2,1H3,(H2,16,17,20,21).
What are the key properties of methyl 6-(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)pyridine-3-carboxylate?
methyl 6-(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)pyridine-3-carboxylate has a molecular weight of 304.31 g/mol, XLogP of 0.05, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)pyridine-3-carboxylate is sourced from PubChem (CID 146189653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).