2-(6-acetyl-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-2-yl)-N-(4-fluoro-2-methylphenyl)acetamide

C18H19FN4O3 — CID 83272219

IUPAC2-(6-acetyl-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-2-yl)-N-(4-fluoro-2-methylphenyl)acetamide
SMILESCC(=O)N1CCc2nn(CC(=O)Nc3ccc(F)cc3C)c(=O)cc2C1
InChIInChI=1S/C18H19FN4O3/c1-11-7-14(19)3-4-15(11)20-17(25)10-23-18(26)8-13-9-22(12(2)24)6-5-16(13)21-23/h3-4,7-8H,5-6,9-10H2,1-2H3,(H,20,25)
InChIKeyZLWJSSAYAMQMKT-UHFFFAOYSA-N
MW358.37 g/mol
LogP1.23
Rot. Bonds3

About 2-(6-acetyl-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-2-yl)-N-(4-fluoro-2-methylphenyl)acetamide

2-(6-acetyl-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-2-yl)-N-(4-fluoro-2-methylphenyl)acetamide (PubChem CID 83272219) has the molecular formula C18H19FN4O3 and a molecular weight of 358.37 g/mol. Its IUPAC name is 2-(6-acetyl-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-2-yl)-N-(4-fluoro-2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(6-acetyl-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-2-yl)-N-(4-fluoro-2-methylphenyl)acetamide
PubChem CID83272219
Molecular FormulaC18H19FN4O3
Molecular Weight358.37 g/mol
Exact Mass358.14
IUPAC Name2-(6-acetyl-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-2-yl)-N-(4-fluoro-2-methylphenyl)acetamide
SMILESCC(=O)N1CCc2nn(CC(=O)Nc3ccc(F)cc3C)c(=O)cc2C1
InChIInChI=1S/C18H19FN4O3/c1-11-7-14(19)3-4-15(11)20-17(25)10-23-18(26)8-13-9-22(12(2)24)6-5-16(13)21-23/h3-4,7-8H,5-6,9-10H2,1-2H3,(H,20,25)
InChIKeyZLWJSSAYAMQMKT-UHFFFAOYSA-N
XLogP1.23
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.37
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(6-acetyl-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-2-yl)-N-(4-fluoro-2-methylphenyl)acetamide?
The IUPAC name of 2-(6-acetyl-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-2-yl)-N-(4-fluoro-2-methylphenyl)acetamide (CID 83272219) is 2-(6-acetyl-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-2-yl)-N-(4-fluoro-2-methylphenyl)acetamide.
What is the SMILES notation for 2-(6-acetyl-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-2-yl)-N-(4-fluoro-2-methylphenyl)acetamide?
The canonical SMILES for 2-(6-acetyl-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-2-yl)-N-(4-fluoro-2-methylphenyl)acetamide is CC(=O)N1CCc2nn(CC(=O)Nc3ccc(F)cc3C)c(=O)cc2C1.
What is the InChIKey of 2-(6-acetyl-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-2-yl)-N-(4-fluoro-2-methylphenyl)acetamide?
The InChIKey is ZLWJSSAYAMQMKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN4O3/c1-11-7-14(19)3-4-15(11)20-17(25)10-23-18(26)8-13-9-22(12(2)24)6-5-16(13)21-23/h3-4,7-8H,5-6,9-10H2,1-2H3,(H,20,25).
What are the key properties of 2-(6-acetyl-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-2-yl)-N-(4-fluoro-2-methylphenyl)acetamide?
2-(6-acetyl-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-2-yl)-N-(4-fluoro-2-methylphenyl)acetamide has a molecular weight of 358.37 g/mol, XLogP of 1.23, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-acetyl-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-2-yl)-N-(4-fluoro-2-methylphenyl)acetamide is sourced from PubChem (CID 83272219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).