N-methyl-2-[[7-(6-methylpyridazin-3-yl)-1-oxa-7-azaspiro[4.4]nonan-3-yl]oxy]acetamide

C15H22N4O3 — CID 134071044

IUPACN-methyl-2-[[7-(6-methylpyridazin-3-yl)-1-oxa-7-azaspiro[4.4]nonan-3-yl]oxy]acetamide
SMILESCNC(=O)COC1COC2(CCN(c3ccc(C)nn3)C2)C1
InChIInChI=1S/C15H22N4O3/c1-11-3-4-13(18-17-11)19-6-5-15(10-19)7-12(8-22-15)21-9-14(20)16-2/h3-4,12H,5-10H2,1-2H3,(H,16,20)
InChIKeyQUMFSAPFQAZRHR-UHFFFAOYSA-N
MW306.37 g/mol
LogP0.29
Rot. Bonds4

About N-methyl-2-[[7-(6-methylpyridazin-3-yl)-1-oxa-7-azaspiro[4.4]nonan-3-yl]oxy]acetamide

N-methyl-2-[[7-(6-methylpyridazin-3-yl)-1-oxa-7-azaspiro[4.4]nonan-3-yl]oxy]acetamide (PubChem CID 134071044) has the molecular formula C15H22N4O3 and a molecular weight of 306.37 g/mol. Its IUPAC name is N-methyl-2-[[7-(6-methylpyridazin-3-yl)-1-oxa-7-azaspiro[4.4]nonan-3-yl]oxy]acetamide.

Molecular Properties

Compound NameN-methyl-2-[[7-(6-methylpyridazin-3-yl)-1-oxa-7-azaspiro[4.4]nonan-3-yl]oxy]acetamide
PubChem CID134071044
Molecular FormulaC15H22N4O3
Molecular Weight306.37 g/mol
Exact Mass306.17
IUPAC NameN-methyl-2-[[7-(6-methylpyridazin-3-yl)-1-oxa-7-azaspiro[4.4]nonan-3-yl]oxy]acetamide
SMILESCNC(=O)COC1COC2(CCN(c3ccc(C)nn3)C2)C1
InChIInChI=1S/C15H22N4O3/c1-11-3-4-13(18-17-11)19-6-5-15(10-19)7-12(8-22-15)21-9-14(20)16-2/h3-4,12H,5-10H2,1-2H3,(H,16,20)
InChIKeyQUMFSAPFQAZRHR-UHFFFAOYSA-N
XLogP0.29
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[[7-(6-methylpyridazin-3-yl)-1-oxa-7-azaspiro[4.4]nonan-3-yl]oxy]acetamide?
The IUPAC name of N-methyl-2-[[7-(6-methylpyridazin-3-yl)-1-oxa-7-azaspiro[4.4]nonan-3-yl]oxy]acetamide (CID 134071044) is N-methyl-2-[[7-(6-methylpyridazin-3-yl)-1-oxa-7-azaspiro[4.4]nonan-3-yl]oxy]acetamide.
What is the SMILES notation for N-methyl-2-[[7-(6-methylpyridazin-3-yl)-1-oxa-7-azaspiro[4.4]nonan-3-yl]oxy]acetamide?
The canonical SMILES for N-methyl-2-[[7-(6-methylpyridazin-3-yl)-1-oxa-7-azaspiro[4.4]nonan-3-yl]oxy]acetamide is CNC(=O)COC1COC2(CCN(c3ccc(C)nn3)C2)C1.
What is the InChIKey of N-methyl-2-[[7-(6-methylpyridazin-3-yl)-1-oxa-7-azaspiro[4.4]nonan-3-yl]oxy]acetamide?
The InChIKey is QUMFSAPFQAZRHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O3/c1-11-3-4-13(18-17-11)19-6-5-15(10-19)7-12(8-22-15)21-9-14(20)16-2/h3-4,12H,5-10H2,1-2H3,(H,16,20).
What are the key properties of N-methyl-2-[[7-(6-methylpyridazin-3-yl)-1-oxa-7-azaspiro[4.4]nonan-3-yl]oxy]acetamide?
N-methyl-2-[[7-(6-methylpyridazin-3-yl)-1-oxa-7-azaspiro[4.4]nonan-3-yl]oxy]acetamide has a molecular weight of 306.37 g/mol, XLogP of 0.29, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[[7-(6-methylpyridazin-3-yl)-1-oxa-7-azaspiro[4.4]nonan-3-yl]oxy]acetamide is sourced from PubChem (CID 134071044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).