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

C18H21FN4O3 — CID 70786634

IUPAC2-(3-fluorophenoxy)-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]acetamide
SMILESCn1ncc(N2CCC(CNC(=O)COc3cccc(F)c3)C2)cc1=O
InChIInChI=1S/C18H21FN4O3/c1-22-18(25)8-15(10-21-22)23-6-5-13(11-23)9-20-17(24)12-26-16-4-2-3-14(19)7-16/h2-4,7-8,10,13H,5-6,9,11-12H2,1H3,(H,20,24)
InChIKeyLQHGLQXKFFLRKU-UHFFFAOYSA-N
MW360.39 g/mol
LogP0.94
Rot. Bonds6

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

2-(3-fluorophenoxy)-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]acetamide (PubChem CID 70786634) has the molecular formula C18H21FN4O3 and a molecular weight of 360.39 g/mol. Its IUPAC name is 2-(3-fluorophenoxy)-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(3-fluorophenoxy)-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]acetamide
PubChem CID70786634
Molecular FormulaC18H21FN4O3
Molecular Weight360.39 g/mol
Exact Mass360.16
IUPAC Name2-(3-fluorophenoxy)-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]acetamide
SMILESCn1ncc(N2CCC(CNC(=O)COc3cccc(F)c3)C2)cc1=O
InChIInChI=1S/C18H21FN4O3/c1-22-18(25)8-15(10-21-22)23-6-5-13(11-23)9-20-17(24)12-26-16-4-2-3-14(19)7-16/h2-4,7-8,10,13H,5-6,9,11-12H2,1H3,(H,20,24)
InChIKeyLQHGLQXKFFLRKU-UHFFFAOYSA-N
XLogP0.94
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.39
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenoxy)-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]acetamide?
The IUPAC name of 2-(3-fluorophenoxy)-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]acetamide (CID 70786634) is 2-(3-fluorophenoxy)-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]acetamide.
What is the SMILES notation for 2-(3-fluorophenoxy)-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]acetamide?
The canonical SMILES for 2-(3-fluorophenoxy)-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]acetamide is Cn1ncc(N2CCC(CNC(=O)COc3cccc(F)c3)C2)cc1=O.
What is the InChIKey of 2-(3-fluorophenoxy)-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]acetamide?
The InChIKey is LQHGLQXKFFLRKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN4O3/c1-22-18(25)8-15(10-21-22)23-6-5-13(11-23)9-20-17(24)12-26-16-4-2-3-14(19)7-16/h2-4,7-8,10,13H,5-6,9,11-12H2,1H3,(H,20,24).
What are the key properties of 2-(3-fluorophenoxy)-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]acetamide?
2-(3-fluorophenoxy)-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]acetamide has a molecular weight of 360.39 g/mol, XLogP of 0.94, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenoxy)-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]acetamide is sourced from PubChem (CID 70786634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).