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

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

N-methyl-2-[1-(2-methylpropyl)-2,4-dioxo-8-(pyridazine-3-carbonyl)-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide (PubChem CID 166619253) has the molecular formula C19H26N6O4 and a molecular weight of 402.46 g/mol. Its IUPAC name is N-methyl-2-[1-(2-methylpropyl)-2,4-dioxo-8-(pyridazine-3-carbonyl)-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide.

Molecular Properties

Compound Name	N-methyl-2-[1-(2-methylpropyl)-2,4-dioxo-8-(pyridazine-3-carbonyl)-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide
PubChem CID	166619253
Molecular Formula	C19H26N6O4
Molecular Weight	402.46 g/mol
Exact Mass	402.20
IUPAC Name	N-methyl-2-[1-(2-methylpropyl)-2,4-dioxo-8-(pyridazine-3-carbonyl)-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide
SMILES	CNC(=O)CN1C(=O)N(CC(C)C)C2(CCN(C(=O)c3cccnn3)CC2)C1=O
InChI	InChI=1S/C19H26N6O4/c1-13(2)11-25-18(29)24(12-15(26)20-3)17(28)19(25)6-9-23(10-7-19)16(27)14-5-4-8-21-22-14/h4-5,8,13H,6-7,9-12H2,1-3H3,(H,20,26)
InChIKey	YPYXSKAXUNEBDF-UHFFFAOYSA-N
XLogP	0.12
TPSA	115.81 Å²
H-Bond Donors	1
H-Bond Acceptors	6
Rotatable Bonds	5
Heavy Atoms	29
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	402.46
LogP ≤ 5	0.12
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

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

The IUPAC name of N-methyl-2-[1-(2-methylpropyl)-2,4-dioxo-8-(pyridazine-3-carbonyl)-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide (CID 166619253) is N-methyl-2-[1-(2-methylpropyl)-2,4-dioxo-8-(pyridazine-3-carbonyl)-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide.

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

The canonical SMILES for N-methyl-2-[1-(2-methylpropyl)-2,4-dioxo-8-(pyridazine-3-carbonyl)-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide is CNC(=O)CN1C(=O)N(CC(C)C)C2(CCN(C(=O)c3cccnn3)CC2)C1=O.

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

The InChIKey is YPYXSKAXUNEBDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6O4/c1-13(2)11-25-18(29)24(12-15(26)20-3)17(28)19(25)6-9-23(10-7-19)16(27)14-5-4-8-21-22-14/h4-5,8,13H,6-7,9-12H2,1-3H3,(H,20,26).

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

N-methyl-2-[1-(2-methylpropyl)-2,4-dioxo-8-(pyridazine-3-carbonyl)-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide has a molecular weight of 402.46 g/mol, XLogP of 0.12, 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)-2,4-dioxo-8-(pyridazine-3-carbonyl)-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide is sourced from PubChem (CID 166619253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).