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

C17H17FN4O3 — CID 83272212

IUPAC2-(6-acetyl-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-2-yl)-N-(3-fluorophenyl)acetamide
SMILESCC(=O)N1CCc2nn(CC(=O)Nc3cccc(F)c3)c(=O)cc2C1
InChIInChI=1S/C17H17FN4O3/c1-11(23)21-6-5-15-12(9-21)7-17(25)22(20-15)10-16(24)19-14-4-2-3-13(18)8-14/h2-4,7-8H,5-6,9-10H2,1H3,(H,19,24)
InChIKeyAVFRVNVZSARPQG-UHFFFAOYSA-N
MW344.35 g/mol
LogP0.93
Rot. Bonds3

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

2-(6-acetyl-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-2-yl)-N-(3-fluorophenyl)acetamide (PubChem CID 83272212) has the molecular formula C17H17FN4O3 and a molecular weight of 344.35 g/mol. Its IUPAC name is 2-(6-acetyl-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-2-yl)-N-(3-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-(6-acetyl-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-2-yl)-N-(3-fluorophenyl)acetamide
PubChem CID83272212
Molecular FormulaC17H17FN4O3
Molecular Weight344.35 g/mol
Exact Mass344.13
IUPAC Name2-(6-acetyl-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-2-yl)-N-(3-fluorophenyl)acetamide
SMILESCC(=O)N1CCc2nn(CC(=O)Nc3cccc(F)c3)c(=O)cc2C1
InChIInChI=1S/C17H17FN4O3/c1-11(23)21-6-5-15-12(9-21)7-17(25)22(20-15)10-16(24)19-14-4-2-3-13(18)8-14/h2-4,7-8H,5-6,9-10H2,1H3,(H,19,24)
InChIKeyAVFRVNVZSARPQG-UHFFFAOYSA-N
XLogP0.93
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.35
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-fluorophenyl)-2-[methyl-(2-oxo-2-piperidin-1-ylethyl)amino]acetamide
CID 9467018
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CID 2855032
N-(2-Acetylamino-phenyl)-3-[(2-oxo-2-piperidin-1-yl-acetyl)-hydrazono]-butyramide
CID 9594115
N-(4-methylphenyl)-6-oxo-1-[(phenylcarbamoyl)methyl]-1,6-dihydropyridazine-3-carboxamide
CID 16033086
6-keto-1-[2-keto-2-(p-toluidino)ethyl]-N-(p-tolyl)pyridazine-3-carboxamide
CID 16033090
N-methyl-6-oxo-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-1-phenyl-4,5-dihydropyridazine-3-carboxamide
CID 16262858
N-[2-(3,4-difluoroanilino)-2-oxoethyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 24687838
4-amino-6-methyl-2-(3-(4-p-tolylpiperazin-1-yl)propyl)-5-vinylpyridazin-3(2H)-one
CID 44596863
1-(2-Fluorophenyl)-4-{8-methyl-1H-pyrrolo[3,2-H]quinoline-2-carbonyl}piperazine
CID 135410459
1-butyl-N-methyl-6-oxo-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]pyridazine-3-carboxamide
CID 2461863
N-(3-fluorophenyl)-2-[methyl-(2-oxo-2-piperidin-1-ylethyl)amino]acetamide
CID 9262541
2-[2-(1-methyl-4-piperidinylidene)hydrazino]-2-oxo-N-phenylacetamide
CID 2854488

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-(3-fluorophenyl)acetamide?
The IUPAC name of 2-(6-acetyl-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-2-yl)-N-(3-fluorophenyl)acetamide (CID 83272212) is 2-(6-acetyl-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-2-yl)-N-(3-fluorophenyl)acetamide.
What is the SMILES notation for 2-(6-acetyl-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-2-yl)-N-(3-fluorophenyl)acetamide?
The canonical SMILES for 2-(6-acetyl-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-2-yl)-N-(3-fluorophenyl)acetamide is CC(=O)N1CCc2nn(CC(=O)Nc3cccc(F)c3)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-(3-fluorophenyl)acetamide?
The InChIKey is AVFRVNVZSARPQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN4O3/c1-11(23)21-6-5-15-12(9-21)7-17(25)22(20-15)10-16(24)19-14-4-2-3-13(18)8-14/h2-4,7-8H,5-6,9-10H2,1H3,(H,19,24).
What are the key properties of 2-(6-acetyl-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-2-yl)-N-(3-fluorophenyl)acetamide?
2-(6-acetyl-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-2-yl)-N-(3-fluorophenyl)acetamide has a molecular weight of 344.35 g/mol, XLogP of 0.93, 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-(3-fluorophenyl)acetamide is sourced from PubChem (CID 83272212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).