2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)-N-[5-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pentyl]acetamide

C21H27N5O3 — CID 91641234

IUPAC2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)-N-[5-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pentyl]acetamide
SMILESO=C(CN1C(=O)CC2(CCCC2)C1=O)NCCCCCc1nnc2ccccn12
InChIInChI=1S/C21H27N5O3/c27-18(15-26-19(28)14-21(20(26)29)10-4-5-11-21)22-12-6-1-2-8-16-23-24-17-9-3-7-13-25(16)17/h3,7,9,13H,1-2,4-6,8,10-12,14-15H2,(H,22,27)
InChIKeyNRSXBTKWPCVBOJ-UHFFFAOYSA-N
MW397.48 g/mol
LogP1.88
Rot. Bonds8

About 2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)-N-[5-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pentyl]acetamide

2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)-N-[5-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pentyl]acetamide (PubChem CID 91641234) has the molecular formula C21H27N5O3 and a molecular weight of 397.48 g/mol. Its IUPAC name is 2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)-N-[5-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pentyl]acetamide.

Molecular Properties

Compound Name2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)-N-[5-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pentyl]acetamide
PubChem CID91641234
Molecular FormulaC21H27N5O3
Molecular Weight397.48 g/mol
Exact Mass397.21
IUPAC Name2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)-N-[5-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pentyl]acetamide
SMILESO=C(CN1C(=O)CC2(CCCC2)C1=O)NCCCCCc1nnc2ccccn12
InChIInChI=1S/C21H27N5O3/c27-18(15-26-19(28)14-21(20(26)29)10-4-5-11-21)22-12-6-1-2-8-16-23-24-17-9-3-7-13-25(16)17/h3,7,9,13H,1-2,4-6,8,10-12,14-15H2,(H,22,27)
InChIKeyNRSXBTKWPCVBOJ-UHFFFAOYSA-N
XLogP1.88
TPSA96.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)-N-[5-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pentyl]acetamide?
The IUPAC name of 2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)-N-[5-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pentyl]acetamide (CID 91641234) is 2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)-N-[5-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pentyl]acetamide.
What is the SMILES notation for 2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)-N-[5-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pentyl]acetamide?
The canonical SMILES for 2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)-N-[5-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pentyl]acetamide is O=C(CN1C(=O)CC2(CCCC2)C1=O)NCCCCCc1nnc2ccccn12.
What is the InChIKey of 2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)-N-[5-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pentyl]acetamide?
The InChIKey is NRSXBTKWPCVBOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O3/c27-18(15-26-19(28)14-21(20(26)29)10-4-5-11-21)22-12-6-1-2-8-16-23-24-17-9-3-7-13-25(16)17/h3,7,9,13H,1-2,4-6,8,10-12,14-15H2,(H,22,27).
What are the key properties of 2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)-N-[5-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pentyl]acetamide?
2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)-N-[5-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pentyl]acetamide has a molecular weight of 397.48 g/mol, XLogP of 1.88, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)-N-[5-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pentyl]acetamide is sourced from PubChem (CID 91641234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).