N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-[[4-(2-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide

C24H25N7O3S — CID 16536283

About N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-[[4-(2-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide

N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-[[4-(2-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide (PubChem CID 16536283) has the molecular formula C24H25N7O3S and a molecular weight of 491.58 g/mol. Its IUPAC name is N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-[[4-(2-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide.

Molecular Properties

• Compound Name: N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-[[4-(2-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide
• PubChem CID: 16536283
• Molecular Formula: C24H25N7O3S
• Molecular Weight: 491.58 g/mol
• Exact Mass: 491.17
• IUPAC Name: N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-[[4-(2-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide
• SMILES: Cc1ccccc1-n1c(SCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)nnc1-c1ccncc1
• InChI: InChI=1S/C24H25N7O3S/c1-16-7-3-4-8-18(16)30-20(17-9-13-25-14-10-17)27-28-23(30)35-15-19(32)29-31-21(33)24(26-22(31)34)11-5-2-6-12-24/h3-4,7-10,13-14H,2,5-6,11-12,15H2,1H3,(H,26,34)(H,29,32)
• InChIKey: FKPBOPDNAFCVIL-UHFFFAOYSA-N
• XLogP: 3.02
• TPSA: 122.11 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	491.58
LogP ≤ 5	3.02
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-[[4-(2-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide?

The IUPAC name of N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-[[4-(2-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide (CID 16536283) is N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-[[4-(2-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide.

What is the SMILES notation for N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-[[4-(2-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide?

The canonical SMILES for N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-[[4-(2-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide is Cc1ccccc1-n1c(SCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)nnc1-c1ccncc1.

What is the InChIKey of N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-[[4-(2-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide?

The InChIKey is FKPBOPDNAFCVIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N7O3S/c1-16-7-3-4-8-18(16)30-20(17-9-13-25-14-10-17)27-28-23(30)35-15-19(32)29-31-21(33)24(26-22(31)34)11-5-2-6-12-24/h3-4,7-10,13-14H,2,5-6,11-12,15H2,1H3,(H,26,34)(H,29,32).

What are the key properties of N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-[[4-(2-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide?

N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-[[4-(2-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide has a molecular weight of 491.58 g/mol, XLogP of 3.02, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-[[4-(2-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide is sourced from PubChem (CID 16536283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).