4-[[5-(1,3,5,8-tetraoxo-2,4,7-triazaspiro[5.5]undecan-7-yl)-2-pyridinyl]oxy]benzamide

C20H17N5O6 — CID 22598342

IUPAC4-[[5-(1,3,5,8-tetraoxo-2,4,7-triazaspiro[5.5]undecan-7-yl)-2-pyridinyl]oxy]benzamide
SMILESNC(=O)c1ccc(Oc2ccc(N3C(=O)CCCC34C(=O)NC(=O)NC4=O)cn2)cc1
InChIInChI=1S/C20H17N5O6/c21-16(27)11-3-6-13(7-4-11)31-14-8-5-12(10-22-14)25-15(26)2-1-9-20(25)17(28)23-19(30)24-18(20)29/h3-8,10H,1-2,9H2,(H2,21,27)(H2,23,24,28,29,30)
InChIKeyFIRGOMBDFXHEAZ-UHFFFAOYSA-N
MW423.39 g/mol
LogP0.59
Rot. Bonds4

About 4-[[5-(1,3,5,8-tetraoxo-2,4,7-triazaspiro[5.5]undecan-7-yl)-2-pyridinyl]oxy]benzamide

4-[[5-(1,3,5,8-tetraoxo-2,4,7-triazaspiro[5.5]undecan-7-yl)-2-pyridinyl]oxy]benzamide (PubChem CID 22598342) has the molecular formula C20H17N5O6 and a molecular weight of 423.39 g/mol. Its IUPAC name is 4-[[5-(1,3,5,8-tetraoxo-2,4,7-triazaspiro[5.5]undecan-7-yl)-2-pyridinyl]oxy]benzamide.

Molecular Properties

Compound Name4-[[5-(1,3,5,8-tetraoxo-2,4,7-triazaspiro[5.5]undecan-7-yl)-2-pyridinyl]oxy]benzamide
PubChem CID22598342
Molecular FormulaC20H17N5O6
Molecular Weight423.39 g/mol
Exact Mass423.12
IUPAC Name4-[[5-(1,3,5,8-tetraoxo-2,4,7-triazaspiro[5.5]undecan-7-yl)-2-pyridinyl]oxy]benzamide
SMILESNC(=O)c1ccc(Oc2ccc(N3C(=O)CCCC34C(=O)NC(=O)NC4=O)cn2)cc1
InChIInChI=1S/C20H17N5O6/c21-16(27)11-3-6-13(7-4-11)31-14-8-5-12(10-22-14)25-15(26)2-1-9-20(25)17(28)23-19(30)24-18(20)29/h3-8,10H,1-2,9H2,(H2,21,27)(H2,23,24,28,29,30)
InChIKeyFIRGOMBDFXHEAZ-UHFFFAOYSA-N
XLogP0.59
TPSA160.79 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.39
LogP ≤ 50.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 4-[[5-(1,3,5,8-tetraoxo-2,4,7-triazaspiro[5.5]undecan-7-yl)-2-pyridinyl]oxy]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[[5-(1,3,5,8-tetraoxo-2,4,7-triazaspiro[5.5]undecan-7-yl)-2-pyridinyl]oxy]benzamide?
The IUPAC name of 4-[[5-(1,3,5,8-tetraoxo-2,4,7-triazaspiro[5.5]undecan-7-yl)-2-pyridinyl]oxy]benzamide (CID 22598342) is 4-[[5-(1,3,5,8-tetraoxo-2,4,7-triazaspiro[5.5]undecan-7-yl)-2-pyridinyl]oxy]benzamide.
What is the SMILES notation for 4-[[5-(1,3,5,8-tetraoxo-2,4,7-triazaspiro[5.5]undecan-7-yl)-2-pyridinyl]oxy]benzamide?
The canonical SMILES for 4-[[5-(1,3,5,8-tetraoxo-2,4,7-triazaspiro[5.5]undecan-7-yl)-2-pyridinyl]oxy]benzamide is NC(=O)c1ccc(Oc2ccc(N3C(=O)CCCC34C(=O)NC(=O)NC4=O)cn2)cc1.
What is the InChIKey of 4-[[5-(1,3,5,8-tetraoxo-2,4,7-triazaspiro[5.5]undecan-7-yl)-2-pyridinyl]oxy]benzamide?
The InChIKey is FIRGOMBDFXHEAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O6/c21-16(27)11-3-6-13(7-4-11)31-14-8-5-12(10-22-14)25-15(26)2-1-9-20(25)17(28)23-19(30)24-18(20)29/h3-8,10H,1-2,9H2,(H2,21,27)(H2,23,24,28,29,30).
What are the key properties of 4-[[5-(1,3,5,8-tetraoxo-2,4,7-triazaspiro[5.5]undecan-7-yl)-2-pyridinyl]oxy]benzamide?
4-[[5-(1,3,5,8-tetraoxo-2,4,7-triazaspiro[5.5]undecan-7-yl)-2-pyridinyl]oxy]benzamide has a molecular weight of 423.39 g/mol, XLogP of 0.59, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(1,3,5,8-tetraoxo-2,4,7-triazaspiro[5.5]undecan-7-yl)-2-pyridinyl]oxy]benzamide is sourced from PubChem (CID 22598342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).