N-methyl-N-[2-[[2-(5-methyl-6-oxo-1H-pyridazin-4-yl)-1,3-dihydroisoindol-4-yl]oxy]ethyl]acetamide

C18H22N4O3 — CID 161006559

IUPACN-methyl-N-[2-[[2-(5-methyl-6-oxo-1H-pyridazin-4-yl)-1,3-dihydroisoindol-4-yl]oxy]ethyl]acetamide
SMILESCC(=O)N(C)CCOc1cccc2c1CN(c1cn[nH]c(=O)c1C)C2
InChIInChI=1S/C18H22N4O3/c1-12-16(9-19-20-18(12)24)22-10-14-5-4-6-17(15(14)11-22)25-8-7-21(3)13(2)23/h4-6,9H,7-8,10-11H2,1-3H3,(H,20,24)
InChIKeyTWOQSHYWCKKLLP-UHFFFAOYSA-N
MW342.40 g/mol
LogP1.46
Rot. Bonds5

About N-methyl-N-[2-[[2-(5-methyl-6-oxo-1H-pyridazin-4-yl)-1,3-dihydroisoindol-4-yl]oxy]ethyl]acetamide

N-methyl-N-[2-[[2-(5-methyl-6-oxo-1H-pyridazin-4-yl)-1,3-dihydroisoindol-4-yl]oxy]ethyl]acetamide (PubChem CID 161006559) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is N-methyl-N-[2-[[2-(5-methyl-6-oxo-1H-pyridazin-4-yl)-1,3-dihydroisoindol-4-yl]oxy]ethyl]acetamide.

Molecular Properties

Compound NameN-methyl-N-[2-[[2-(5-methyl-6-oxo-1H-pyridazin-4-yl)-1,3-dihydroisoindol-4-yl]oxy]ethyl]acetamide
PubChem CID161006559
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC NameN-methyl-N-[2-[[2-(5-methyl-6-oxo-1H-pyridazin-4-yl)-1,3-dihydroisoindol-4-yl]oxy]ethyl]acetamide
SMILESCC(=O)N(C)CCOc1cccc2c1CN(c1cn[nH]c(=O)c1C)C2
InChIInChI=1S/C18H22N4O3/c1-12-16(9-19-20-18(12)24)22-10-14-5-4-6-17(15(14)11-22)25-8-7-21(3)13(2)23/h4-6,9H,7-8,10-11H2,1-3H3,(H,20,24)
InChIKeyTWOQSHYWCKKLLP-UHFFFAOYSA-N
XLogP1.46
TPSA78.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-4-[4-(pyridin-4-ylmethoxy)-1,3-dihydroisoindol-2-yl]-1H-pyridazin-6-one
CID 159417777
5-methyl-4-(4-pyrimidin-4-yloxy-1,3-dihydroisoindol-2-yl)-1H-pyridazin-6-one
CID 153018537
6-[4-[3-[2-[[2-(5-methyl-6-oxo-1H-pyridazin-4-yl)-1,3-dihydroisoindol-4-yl]oxy]ethylamino]propanoyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 149164608
5-chloro-4-(4-propoxy-1,3-dihydroisoindol-2-yl)-1H-pyridazin-6-one;3-methyl-1-propoxybutane
CID 153358275
N-[2-(2-formylphenoxy)ethyl]-N-methylacetamide
CID 82037026
6-[4-[2-[2-[[2-[6-oxo-5-(trifluoromethyl)-1H-pyridazin-4-yl]-1,3-dihydroisoindol-4-yl]oxy]ethoxy]acetyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 146219715
1-[2-(1H-indazol-7-yloxy)ethyl]-1-methylurea
CID 175715455
N-[2-(2-acetylphenoxy)ethyl]-N-methylacetamide
CID 82037362
5-isocyano-4-(4-piperidin-4-yloxy-1,3-dihydroisoindol-2-yl)-1H-pyridazin-6-one
CID 153446883
N-[2-(4-acetylphenoxy)ethyl]-N-methylacetamide
CID 82037432
N-[2-(3-methoxyphenoxy)ethyl]-N-methylacetamide
CID 118193850
6-chloro-N-[2-(2-fluorophenoxy)ethyl]-N-methylpyridine-3-carboxamide
CID 60675865

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-[[2-(5-methyl-6-oxo-1H-pyridazin-4-yl)-1,3-dihydroisoindol-4-yl]oxy]ethyl]acetamide?
The IUPAC name of N-methyl-N-[2-[[2-(5-methyl-6-oxo-1H-pyridazin-4-yl)-1,3-dihydroisoindol-4-yl]oxy]ethyl]acetamide (CID 161006559) is N-methyl-N-[2-[[2-(5-methyl-6-oxo-1H-pyridazin-4-yl)-1,3-dihydroisoindol-4-yl]oxy]ethyl]acetamide.
What is the SMILES notation for N-methyl-N-[2-[[2-(5-methyl-6-oxo-1H-pyridazin-4-yl)-1,3-dihydroisoindol-4-yl]oxy]ethyl]acetamide?
The canonical SMILES for N-methyl-N-[2-[[2-(5-methyl-6-oxo-1H-pyridazin-4-yl)-1,3-dihydroisoindol-4-yl]oxy]ethyl]acetamide is CC(=O)N(C)CCOc1cccc2c1CN(c1cn[nH]c(=O)c1C)C2.
What is the InChIKey of N-methyl-N-[2-[[2-(5-methyl-6-oxo-1H-pyridazin-4-yl)-1,3-dihydroisoindol-4-yl]oxy]ethyl]acetamide?
The InChIKey is TWOQSHYWCKKLLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-12-16(9-19-20-18(12)24)22-10-14-5-4-6-17(15(14)11-22)25-8-7-21(3)13(2)23/h4-6,9H,7-8,10-11H2,1-3H3,(H,20,24).
What are the key properties of N-methyl-N-[2-[[2-(5-methyl-6-oxo-1H-pyridazin-4-yl)-1,3-dihydroisoindol-4-yl]oxy]ethyl]acetamide?
N-methyl-N-[2-[[2-(5-methyl-6-oxo-1H-pyridazin-4-yl)-1,3-dihydroisoindol-4-yl]oxy]ethyl]acetamide has a molecular weight of 342.40 g/mol, XLogP of 1.46, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-[[2-(5-methyl-6-oxo-1H-pyridazin-4-yl)-1,3-dihydroisoindol-4-yl]oxy]ethyl]acetamide is sourced from PubChem (CID 161006559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).