2-(4-oxo-1,3-diazaspiro[4.5]dec-1-en-2-yl)pyridine-3-carboxylic acid

C14H15N3O3 — CID 13474730

IUPAC2-(4-oxo-1,3-diazaspiro[4.5]dec-1-en-2-yl)pyridine-3-carboxylic acid
SMILESO=C(O)c1cccnc1C1=NC2(CCCCC2)C(=O)N1
InChIInChI=1S/C14H15N3O3/c18-12(19)9-5-4-8-15-10(9)11-16-13(20)14(17-11)6-2-1-3-7-14/h4-5,8H,1-3,6-7H2,(H,18,19)(H,16,17,20)
InChIKeyGPBAALKSADMLRC-UHFFFAOYSA-N
MW273.29 g/mol
LogP1.36
Rot. Bonds2

About 2-(4-oxo-1,3-diazaspiro[4.5]dec-1-en-2-yl)pyridine-3-carboxylic acid

2-(4-oxo-1,3-diazaspiro[4.5]dec-1-en-2-yl)pyridine-3-carboxylic acid (PubChem CID 13474730) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is 2-(4-oxo-1,3-diazaspiro[4.5]dec-1-en-2-yl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(4-oxo-1,3-diazaspiro[4.5]dec-1-en-2-yl)pyridine-3-carboxylic acid
PubChem CID13474730
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Name2-(4-oxo-1,3-diazaspiro[4.5]dec-1-en-2-yl)pyridine-3-carboxylic acid
SMILESO=C(O)c1cccnc1C1=NC2(CCCCC2)C(=O)N1
InChIInChI=1S/C14H15N3O3/c18-12(19)9-5-4-8-15-10(9)11-16-13(20)14(17-11)6-2-1-3-7-14/h4-5,8H,1-3,6-7H2,(H,18,19)(H,16,17,20)
InChIKeyGPBAALKSADMLRC-UHFFFAOYSA-N
XLogP1.36
TPSA91.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-oxo-1,3-diazaspiro[4.5]dec-1-en-2-yl)pyridine-3-carboxylic acid?
The IUPAC name of 2-(4-oxo-1,3-diazaspiro[4.5]dec-1-en-2-yl)pyridine-3-carboxylic acid (CID 13474730) is 2-(4-oxo-1,3-diazaspiro[4.5]dec-1-en-2-yl)pyridine-3-carboxylic acid.
What is the SMILES notation for 2-(4-oxo-1,3-diazaspiro[4.5]dec-1-en-2-yl)pyridine-3-carboxylic acid?
The canonical SMILES for 2-(4-oxo-1,3-diazaspiro[4.5]dec-1-en-2-yl)pyridine-3-carboxylic acid is O=C(O)c1cccnc1C1=NC2(CCCCC2)C(=O)N1.
What is the InChIKey of 2-(4-oxo-1,3-diazaspiro[4.5]dec-1-en-2-yl)pyridine-3-carboxylic acid?
The InChIKey is GPBAALKSADMLRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c18-12(19)9-5-4-8-15-10(9)11-16-13(20)14(17-11)6-2-1-3-7-14/h4-5,8H,1-3,6-7H2,(H,18,19)(H,16,17,20).
What are the key properties of 2-(4-oxo-1,3-diazaspiro[4.5]dec-1-en-2-yl)pyridine-3-carboxylic acid?
2-(4-oxo-1,3-diazaspiro[4.5]dec-1-en-2-yl)pyridine-3-carboxylic acid has a molecular weight of 273.29 g/mol, XLogP of 1.36, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-oxo-1,3-diazaspiro[4.5]dec-1-en-2-yl)pyridine-3-carboxylic acid is sourced from PubChem (CID 13474730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).