4-fluoro-N-(1-methyl-6-oxo-5-piperidin-1-ylpyridazin-4-yl)benzamide

C17H19FN4O2 — CID 53200754

IUPAC4-fluoro-N-(1-methyl-6-oxo-5-piperidin-1-ylpyridazin-4-yl)benzamide
SMILESCn1ncc(NC(=O)c2ccc(F)cc2)c(N2CCCCC2)c1=O
InChIInChI=1S/C17H19FN4O2/c1-21-17(24)15(22-9-3-2-4-10-22)14(11-19-21)20-16(23)12-5-7-13(18)8-6-12/h5-8,11H,2-4,9-10H2,1H3,(H,20,23)
InChIKeyYCURYISTXKZLPZ-UHFFFAOYSA-N
MW330.36 g/mol
LogP2.16
Rot. Bonds3

About 4-fluoro-N-(1-methyl-6-oxo-5-piperidin-1-ylpyridazin-4-yl)benzamide

4-fluoro-N-(1-methyl-6-oxo-5-piperidin-1-ylpyridazin-4-yl)benzamide (PubChem CID 53200754) has the molecular formula C17H19FN4O2 and a molecular weight of 330.36 g/mol. Its IUPAC name is 4-fluoro-N-(1-methyl-6-oxo-5-piperidin-1-ylpyridazin-4-yl)benzamide.

Molecular Properties

Compound Name4-fluoro-N-(1-methyl-6-oxo-5-piperidin-1-ylpyridazin-4-yl)benzamide
PubChem CID53200754
Molecular FormulaC17H19FN4O2
Molecular Weight330.36 g/mol
Exact Mass330.15
IUPAC Name4-fluoro-N-(1-methyl-6-oxo-5-piperidin-1-ylpyridazin-4-yl)benzamide
SMILESCn1ncc(NC(=O)c2ccc(F)cc2)c(N2CCCCC2)c1=O
InChIInChI=1S/C17H19FN4O2/c1-21-17(24)15(22-9-3-2-4-10-22)14(11-19-21)20-16(23)12-5-7-13(18)8-6-12/h5-8,11H,2-4,9-10H2,1H3,(H,20,23)
InChIKeyYCURYISTXKZLPZ-UHFFFAOYSA-N
XLogP2.16
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

8-[[3-(4-benzoylpiperazine-1-carbonyl)-4-fluorophenyl]methyl]-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one
CID 69319608
8-[[4-fluoro-3-(3-oxopiperazine-1-carbonyl)phenyl]methyl]-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one
CID 69323902
N-[(Z)-1-(4-fluorophenyl)-3-(4-methylpiperazin-1-yl)-3-oxoprop-1-en-2-yl]benzamide
CID 1724396
8-[[4-fluoro-3-[4-(2,2,2-trifluoroacetyl)piperazine-1-carbonyl]phenyl]methyl]-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one
CID 70692707
N-[2-(2-Fluoro-phenyl)-1-(4-methyl-piperazine-1-carbonyl)-vinyl]-benzamide
CID 2213200
3-fluoro-N-(2-oxo-2-{(2E)-2-[(2E)-3-phenylprop-2-enylidene]hydrazino}ethyl)benzamide
CID 6870484
6-(4-Fluoro-3-{[4-(2-methylprolyl)piperazin-1-yl]carbonyl}benzyl)-4,5-dimethylpyridazin-3(2H)-one
CID 24821029
(R)-6-(4-fluoro-3-(4-(2-methylazetidine-2-carbonyl)piperazine-1-carbonyl)benzyl)-4,5-dimethylpyridazin-3(2H)-one
CID 24821031
6-(4-fluoro-3-(4-(2-methyl-2-(methylamino)propanoyl)piperazine-1-carbonyl)benzyl)-4,5-dimethylpyridazin-3(2H)-one
CID 24822105
8-[[3-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]-4-fluorophenyl]methyl]-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one
CID 25122250
4-[2-fluoro-5-[(5-oxo-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-8-yl)methyl]benzoyl]-N,N-dimethylpiperazine-1-carboxamide
CID 25122608
8-[[4-fluoro-3-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one
CID 25122972

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(1-methyl-6-oxo-5-piperidin-1-ylpyridazin-4-yl)benzamide?
The IUPAC name of 4-fluoro-N-(1-methyl-6-oxo-5-piperidin-1-ylpyridazin-4-yl)benzamide (CID 53200754) is 4-fluoro-N-(1-methyl-6-oxo-5-piperidin-1-ylpyridazin-4-yl)benzamide.
What is the SMILES notation for 4-fluoro-N-(1-methyl-6-oxo-5-piperidin-1-ylpyridazin-4-yl)benzamide?
The canonical SMILES for 4-fluoro-N-(1-methyl-6-oxo-5-piperidin-1-ylpyridazin-4-yl)benzamide is Cn1ncc(NC(=O)c2ccc(F)cc2)c(N2CCCCC2)c1=O.
What is the InChIKey of 4-fluoro-N-(1-methyl-6-oxo-5-piperidin-1-ylpyridazin-4-yl)benzamide?
The InChIKey is YCURYISTXKZLPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4O2/c1-21-17(24)15(22-9-3-2-4-10-22)14(11-19-21)20-16(23)12-5-7-13(18)8-6-12/h5-8,11H,2-4,9-10H2,1H3,(H,20,23).
What are the key properties of 4-fluoro-N-(1-methyl-6-oxo-5-piperidin-1-ylpyridazin-4-yl)benzamide?
4-fluoro-N-(1-methyl-6-oxo-5-piperidin-1-ylpyridazin-4-yl)benzamide has a molecular weight of 330.36 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(1-methyl-6-oxo-5-piperidin-1-ylpyridazin-4-yl)benzamide is sourced from PubChem (CID 53200754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).