2-(5,6-dimethylpyridazin-3-yl)oxy-N-[[(2R)-oxolan-2-yl]methyl]acetamide

C13H19N3O3 — CID 95352905

IUPAC2-(5,6-dimethylpyridazin-3-yl)oxy-N-[[(2R)-oxolan-2-yl]methyl]acetamide
SMILESCc1cc(OCC(=O)NC[C@H]2CCCO2)nnc1C
InChIInChI=1S/C13H19N3O3/c1-9-6-13(16-15-10(9)2)19-8-12(17)14-7-11-4-3-5-18-11/h6,11H,3-5,7-8H2,1-2H3,(H,14,17)/t11-/m1/s1
InChIKeyNXLSZDYIDGQUBW-LLVKDONJSA-N
MW265.31 g/mol
LogP0.77
Rot. Bonds5

About 2-(5,6-dimethylpyridazin-3-yl)oxy-N-[[(2R)-oxolan-2-yl]methyl]acetamide

2-(5,6-dimethylpyridazin-3-yl)oxy-N-[[(2R)-oxolan-2-yl]methyl]acetamide (PubChem CID 95352905) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-(5,6-dimethylpyridazin-3-yl)oxy-N-[[(2R)-oxolan-2-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(5,6-dimethylpyridazin-3-yl)oxy-N-[[(2R)-oxolan-2-yl]methyl]acetamide
PubChem CID95352905
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name2-(5,6-dimethylpyridazin-3-yl)oxy-N-[[(2R)-oxolan-2-yl]methyl]acetamide
SMILESCc1cc(OCC(=O)NC[C@H]2CCCO2)nnc1C
InChIInChI=1S/C13H19N3O3/c1-9-6-13(16-15-10(9)2)19-8-12(17)14-7-11-4-3-5-18-11/h6,11H,3-5,7-8H2,1-2H3,(H,14,17)/t11-/m1/s1
InChIKeyNXLSZDYIDGQUBW-LLVKDONJSA-N
XLogP0.77
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-bromo-3,5-dimethylphenoxy)-N-(oxolan-2-ylmethyl)acetamide
CID 2922415
2-(3,4-dichlorophenoxy)-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 2419982
4-methyl-3-[2-oxo-2-(oxolan-2-ylmethylamino)ethoxy]benzoic acid
CID 60698794
2-(4-bromo-3-methylphenoxy)-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 845232
2-(4-bromo-2-chloro-6-methylphenoxy)-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 9338818
2-(4-bromo-2-chloro-6-methylphenoxy)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 9338815
2-(3-methyl-4-propan-2-ylphenoxy)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 41099396
2-naphthalen-2-yloxy-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 874788
[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] 3,4-dimethoxybenzoate
CID 8011905
[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl] 2,5-dimethylfuran-3-carboxylate
CID 2380061
[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl] 3,4-dichlorobenzoate
CID 7864832
2-methyl-3-[2-oxo-2-(oxolan-2-ylmethylamino)ethoxy]benzoic acid
CID 82810102

Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dimethylpyridazin-3-yl)oxy-N-[[(2R)-oxolan-2-yl]methyl]acetamide?
The IUPAC name of 2-(5,6-dimethylpyridazin-3-yl)oxy-N-[[(2R)-oxolan-2-yl]methyl]acetamide (CID 95352905) is 2-(5,6-dimethylpyridazin-3-yl)oxy-N-[[(2R)-oxolan-2-yl]methyl]acetamide.
What is the SMILES notation for 2-(5,6-dimethylpyridazin-3-yl)oxy-N-[[(2R)-oxolan-2-yl]methyl]acetamide?
The canonical SMILES for 2-(5,6-dimethylpyridazin-3-yl)oxy-N-[[(2R)-oxolan-2-yl]methyl]acetamide is Cc1cc(OCC(=O)NC[C@H]2CCCO2)nnc1C.
What is the InChIKey of 2-(5,6-dimethylpyridazin-3-yl)oxy-N-[[(2R)-oxolan-2-yl]methyl]acetamide?
The InChIKey is NXLSZDYIDGQUBW-LLVKDONJSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-9-6-13(16-15-10(9)2)19-8-12(17)14-7-11-4-3-5-18-11/h6,11H,3-5,7-8H2,1-2H3,(H,14,17)/t11-/m1/s1.
What are the key properties of 2-(5,6-dimethylpyridazin-3-yl)oxy-N-[[(2R)-oxolan-2-yl]methyl]acetamide?
2-(5,6-dimethylpyridazin-3-yl)oxy-N-[[(2R)-oxolan-2-yl]methyl]acetamide has a molecular weight of 265.31 g/mol, XLogP of 0.77, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-dimethylpyridazin-3-yl)oxy-N-[[(2R)-oxolan-2-yl]methyl]acetamide is sourced from PubChem (CID 95352905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).