2-(2-methoxyethoxy)-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]acetamide

C15H24N4O4 — CID 70759703

IUPAC2-(2-methoxyethoxy)-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]acetamide
SMILESCOCCOCC(=O)NCC1CCN(c2cnn(C)c(=O)c2)C1
InChIInChI=1S/C15H24N4O4/c1-18-15(21)7-13(9-17-18)19-4-3-12(10-19)8-16-14(20)11-23-6-5-22-2/h7,9,12H,3-6,8,10-11H2,1-2H3,(H,16,20)
InChIKeyWMBVJJRZLLTXJN-UHFFFAOYSA-N
MW324.38 g/mol
LogP-0.61
Rot. Bonds8

About 2-(2-methoxyethoxy)-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]acetamide

2-(2-methoxyethoxy)-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]acetamide (PubChem CID 70759703) has the molecular formula C15H24N4O4 and a molecular weight of 324.38 g/mol. Its IUPAC name is 2-(2-methoxyethoxy)-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(2-methoxyethoxy)-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]acetamide
PubChem CID70759703
Molecular FormulaC15H24N4O4
Molecular Weight324.38 g/mol
Exact Mass324.18
IUPAC Name2-(2-methoxyethoxy)-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]acetamide
SMILESCOCCOCC(=O)NCC1CCN(c2cnn(C)c(=O)c2)C1
InChIInChI=1S/C15H24N4O4/c1-18-15(21)7-13(9-17-18)19-4-3-12(10-19)8-16-14(20)11-23-6-5-22-2/h7,9,12H,3-6,8,10-11H2,1-2H3,(H,16,20)
InChIKeyWMBVJJRZLLTXJN-UHFFFAOYSA-N
XLogP-0.61
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 5-0.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethoxy)-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]acetamide?
The IUPAC name of 2-(2-methoxyethoxy)-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]acetamide (CID 70759703) is 2-(2-methoxyethoxy)-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]acetamide.
What is the SMILES notation for 2-(2-methoxyethoxy)-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]acetamide?
The canonical SMILES for 2-(2-methoxyethoxy)-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]acetamide is COCCOCC(=O)NCC1CCN(c2cnn(C)c(=O)c2)C1.
What is the InChIKey of 2-(2-methoxyethoxy)-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]acetamide?
The InChIKey is WMBVJJRZLLTXJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O4/c1-18-15(21)7-13(9-17-18)19-4-3-12(10-19)8-16-14(20)11-23-6-5-22-2/h7,9,12H,3-6,8,10-11H2,1-2H3,(H,16,20).
What are the key properties of 2-(2-methoxyethoxy)-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]acetamide?
2-(2-methoxyethoxy)-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]acetamide has a molecular weight of 324.38 g/mol, XLogP of -0.61, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethoxy)-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]acetamide is sourced from PubChem (CID 70759703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).