N-methyl-2-[1-(2-methylpropyl)-8-(6-methylpyridazin-3-yl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide

C19H28N6O3 — CID 166622544

About N-methyl-2-[1-(2-methylpropyl)-8-(6-methylpyridazin-3-yl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide

N-methyl-2-[1-(2-methylpropyl)-8-(6-methylpyridazin-3-yl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide (PubChem CID 166622544) has the molecular formula C19H28N6O3 and a molecular weight of 388.47 g/mol. Its IUPAC name is N-methyl-2-[1-(2-methylpropyl)-8-(6-methylpyridazin-3-yl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide.

Molecular Properties

• Compound Name: N-methyl-2-[1-(2-methylpropyl)-8-(6-methylpyridazin-3-yl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide
• PubChem CID: 166622544
• Molecular Formula: C19H28N6O3
• Molecular Weight: 388.47 g/mol
• Exact Mass: 388.22
• IUPAC Name: N-methyl-2-[1-(2-methylpropyl)-8-(6-methylpyridazin-3-yl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide
• SMILES: CNC(=O)CN1C(=O)N(CC(C)C)C2(CCN(c3ccc(C)nn3)CC2)C1=O
• InChI: InChI=1S/C19H28N6O3/c1-13(2)11-25-18(28)24(12-16(26)20-4)17(27)19(25)7-9-23(10-8-19)15-6-5-14(3)21-22-15/h5-6,13H,7-12H2,1-4H3,(H,20,26)
• InChIKey: KWQRBRFLHYTBIX-UHFFFAOYSA-N
• XLogP: 0.79
• TPSA: 98.74 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	388.47
LogP ≤ 5	0.79
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[1-(2-methylpropyl)-8-(6-methylpyridazin-3-yl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide?

The IUPAC name of N-methyl-2-[1-(2-methylpropyl)-8-(6-methylpyridazin-3-yl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide (CID 166622544) is N-methyl-2-[1-(2-methylpropyl)-8-(6-methylpyridazin-3-yl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide.

What is the SMILES notation for N-methyl-2-[1-(2-methylpropyl)-8-(6-methylpyridazin-3-yl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide?

The canonical SMILES for N-methyl-2-[1-(2-methylpropyl)-8-(6-methylpyridazin-3-yl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide is CNC(=O)CN1C(=O)N(CC(C)C)C2(CCN(c3ccc(C)nn3)CC2)C1=O.

What is the InChIKey of N-methyl-2-[1-(2-methylpropyl)-8-(6-methylpyridazin-3-yl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide?

The InChIKey is KWQRBRFLHYTBIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6O3/c1-13(2)11-25-18(28)24(12-16(26)20-4)17(27)19(25)7-9-23(10-8-19)15-6-5-14(3)21-22-15/h5-6,13H,7-12H2,1-4H3,(H,20,26).

What are the key properties of N-methyl-2-[1-(2-methylpropyl)-8-(6-methylpyridazin-3-yl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide?

N-methyl-2-[1-(2-methylpropyl)-8-(6-methylpyridazin-3-yl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide has a molecular weight of 388.47 g/mol, XLogP of 0.79, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-methyl-2-[1-(2-methylpropyl)-8-(6-methylpyridazin-3-yl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide is sourced from PubChem (CID 166622544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).