2-(1,3-dioxo-2-azaspiro[4.5]decan-2-yl)pyridine-3-carboxylic acid

C15H16N2O4 — CID 63652542

IUPAC2-(1,3-dioxo-2-azaspiro[4.5]decan-2-yl)pyridine-3-carboxylic acid
SMILESO=C(O)c1cccnc1N1C(=O)CC2(CCCCC2)C1=O
InChIInChI=1S/C15H16N2O4/c18-11-9-15(6-2-1-3-7-15)14(21)17(11)12-10(13(19)20)5-4-8-16-12/h4-5,8H,1-3,6-7,9H2,(H,19,20)
InChIKeyYVKYRGURIHCYGO-UHFFFAOYSA-N
MW288.30 g/mol
LogP1.99
Rot. Bonds2

About 2-(1,3-dioxo-2-azaspiro[4.5]decan-2-yl)pyridine-3-carboxylic acid

2-(1,3-dioxo-2-azaspiro[4.5]decan-2-yl)pyridine-3-carboxylic acid (PubChem CID 63652542) has the molecular formula C15H16N2O4 and a molecular weight of 288.30 g/mol. Its IUPAC name is 2-(1,3-dioxo-2-azaspiro[4.5]decan-2-yl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(1,3-dioxo-2-azaspiro[4.5]decan-2-yl)pyridine-3-carboxylic acid
PubChem CID63652542
Molecular FormulaC15H16N2O4
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC Name2-(1,3-dioxo-2-azaspiro[4.5]decan-2-yl)pyridine-3-carboxylic acid
SMILESO=C(O)c1cccnc1N1C(=O)CC2(CCCCC2)C1=O
InChIInChI=1S/C15H16N2O4/c18-11-9-15(6-2-1-3-7-15)14(21)17(11)12-10(13(19)20)5-4-8-16-12/h4-5,8H,1-3,6-7,9H2,(H,19,20)
InChIKeyYVKYRGURIHCYGO-UHFFFAOYSA-N
XLogP1.99
TPSA87.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)pyridine-3-carboxylic acid
CID 63653070
2-chloro-5-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)benzoic acid
CID 60860870
2-pyridin-2-yl-2-azaspiro[4.4]nonane-1,3-dione
CID 11957948
2-pyrrolidin-1-ylpyridine-3-carboxylic acid
CID 2794739
2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)-5-iodobenzoic acid
CID 63111024
2-(1H-indazol-3-yl)-2-azaspiro[4.5]decane-1,3-dione
CID 62687846
2-[(5R)-2,9-diazaspiro[4.5]decan-2-yl]pyridine-3-carboxylic acid
CID 95228465
2-(11-benzyl-8,11-diazatricyclo[4.3.3.01,6]dodecan-8-yl)pyridine-3-carboxylic acid
CID 155965630
3-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)pyrazine-2-carboxylic acid
CID 63260102
2-(5-methyl-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)pyridine-3-carboxylic acid
CID 114391598
2-(3,4-dimethylpyrrolidin-1-yl)pyridine-3-carboxylic acid
CID 79181220
3-(3-chloro-2-pyridinyl)-3-azaspiro[5.5]undecane-2,4-dione
CID 103094586

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxo-2-azaspiro[4.5]decan-2-yl)pyridine-3-carboxylic acid?
The IUPAC name of 2-(1,3-dioxo-2-azaspiro[4.5]decan-2-yl)pyridine-3-carboxylic acid (CID 63652542) is 2-(1,3-dioxo-2-azaspiro[4.5]decan-2-yl)pyridine-3-carboxylic acid.
What is the SMILES notation for 2-(1,3-dioxo-2-azaspiro[4.5]decan-2-yl)pyridine-3-carboxylic acid?
The canonical SMILES for 2-(1,3-dioxo-2-azaspiro[4.5]decan-2-yl)pyridine-3-carboxylic acid is O=C(O)c1cccnc1N1C(=O)CC2(CCCCC2)C1=O.
What is the InChIKey of 2-(1,3-dioxo-2-azaspiro[4.5]decan-2-yl)pyridine-3-carboxylic acid?
The InChIKey is YVKYRGURIHCYGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4/c18-11-9-15(6-2-1-3-7-15)14(21)17(11)12-10(13(19)20)5-4-8-16-12/h4-5,8H,1-3,6-7,9H2,(H,19,20).
What are the key properties of 2-(1,3-dioxo-2-azaspiro[4.5]decan-2-yl)pyridine-3-carboxylic acid?
2-(1,3-dioxo-2-azaspiro[4.5]decan-2-yl)pyridine-3-carboxylic acid has a molecular weight of 288.30 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxo-2-azaspiro[4.5]decan-2-yl)pyridine-3-carboxylic acid is sourced from PubChem (CID 63652542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).