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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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).