4-fluoro-N-[1-[3-(6-methoxypyridazin-3-yl)benzoyl]piperidin-4-yl]benzamide

C24H23FN4O3 — CID 134803792

IUPAC4-fluoro-N-[1-[3-(6-methoxypyridazin-3-yl)benzoyl]piperidin-4-yl]benzamide
SMILESCOc1ccc(-c2cccc(C(=O)N3CCC(NC(=O)c4ccc(F)cc4)CC3)c2)nn1
InChIInChI=1S/C24H23FN4O3/c1-32-22-10-9-21(27-28-22)17-3-2-4-18(15-17)24(31)29-13-11-20(12-14-29)26-23(30)16-5-7-19(25)8-6-16/h2-10,15,20H,11-14H2,1H3,(H,26,30)
InChIKeyROSJHXOKLJSBJE-UHFFFAOYSA-N
MW434.47 g/mol
LogP3.33
Rot. Bonds5

About 4-fluoro-N-[1-[3-(6-methoxypyridazin-3-yl)benzoyl]piperidin-4-yl]benzamide

4-fluoro-N-[1-[3-(6-methoxypyridazin-3-yl)benzoyl]piperidin-4-yl]benzamide (PubChem CID 134803792) has the molecular formula C24H23FN4O3 and a molecular weight of 434.47 g/mol. Its IUPAC name is 4-fluoro-N-[1-[3-(6-methoxypyridazin-3-yl)benzoyl]piperidin-4-yl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[1-[3-(6-methoxypyridazin-3-yl)benzoyl]piperidin-4-yl]benzamide
PubChem CID134803792
Molecular FormulaC24H23FN4O3
Molecular Weight434.47 g/mol
Exact Mass434.18
IUPAC Name4-fluoro-N-[1-[3-(6-methoxypyridazin-3-yl)benzoyl]piperidin-4-yl]benzamide
SMILESCOc1ccc(-c2cccc(C(=O)N3CCC(NC(=O)c4ccc(F)cc4)CC3)c2)nn1
InChIInChI=1S/C24H23FN4O3/c1-32-22-10-9-21(27-28-22)17-3-2-4-18(15-17)24(31)29-13-11-20(12-14-29)26-23(30)16-5-7-19(25)8-6-16/h2-10,15,20H,11-14H2,1H3,(H,26,30)
InChIKeyROSJHXOKLJSBJE-UHFFFAOYSA-N
XLogP3.33
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.47
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-[2-(2-chlorophenyl)ethyl]-5-(6-methoxypyridazin-3-yl)benzamide
CID 18438700
N-[1-[[4-[3-[6-(4-fluorophenyl)pyridazin-3-yl]propoxy]phenyl]methyl]piperidin-4-yl]acetamide
CID 122184704
N-[1-[3-(6-methoxypyridazin-3-yl)benzoyl]piperidin-4-yl]-4-(trifluoromethyl)benzamide
CID 134800971
N-[(2-fluorophenyl)methyl]-4-(6-methoxypyridazin-3-yl)benzamide
CID 134801622
N-[(4-fluorophenyl)methyl]-3-(6-methoxypyridazin-3-yl)benzamide
CID 134802190
3-(6-methoxypyridazin-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 134803949
1-(3-fluorobenzyl)-6-oxo-N-(2-((6-phenylpyridazin-3-yl)oxy)ethyl)-1,6-dihydropyridazine-3-carboxamide
CID 45498060
4-fluoro-N-[4-(6-methoxypyridazin-3-yl)phenyl]benzamide
CID 7593565
N-[3-(6-ethoxypyridazin-3-yl)phenyl]-2-fluorobenzamide
CID 7593628
N-(2-{[6-(4-methoxyphenyl)pyridazin-3-yl]oxy}ethyl)-3-(trifluoromethyl)benzamide
CID 8701814
N-(2-((6-(4-fluorophenyl)pyridazin-3-yl)oxy)ethyl)-2-naphthamide
CID 41527745
N-(4-fluorobenzyl)-3-((6-methylpyridazin-3-yl)oxy)benzamide
CID 52416946

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[1-[3-(6-methoxypyridazin-3-yl)benzoyl]piperidin-4-yl]benzamide?
The IUPAC name of 4-fluoro-N-[1-[3-(6-methoxypyridazin-3-yl)benzoyl]piperidin-4-yl]benzamide (CID 134803792) is 4-fluoro-N-[1-[3-(6-methoxypyridazin-3-yl)benzoyl]piperidin-4-yl]benzamide.
What is the SMILES notation for 4-fluoro-N-[1-[3-(6-methoxypyridazin-3-yl)benzoyl]piperidin-4-yl]benzamide?
The canonical SMILES for 4-fluoro-N-[1-[3-(6-methoxypyridazin-3-yl)benzoyl]piperidin-4-yl]benzamide is COc1ccc(-c2cccc(C(=O)N3CCC(NC(=O)c4ccc(F)cc4)CC3)c2)nn1.
What is the InChIKey of 4-fluoro-N-[1-[3-(6-methoxypyridazin-3-yl)benzoyl]piperidin-4-yl]benzamide?
The InChIKey is ROSJHXOKLJSBJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN4O3/c1-32-22-10-9-21(27-28-22)17-3-2-4-18(15-17)24(31)29-13-11-20(12-14-29)26-23(30)16-5-7-19(25)8-6-16/h2-10,15,20H,11-14H2,1H3,(H,26,30).
What are the key properties of 4-fluoro-N-[1-[3-(6-methoxypyridazin-3-yl)benzoyl]piperidin-4-yl]benzamide?
4-fluoro-N-[1-[3-(6-methoxypyridazin-3-yl)benzoyl]piperidin-4-yl]benzamide has a molecular weight of 434.47 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[1-[3-(6-methoxypyridazin-3-yl)benzoyl]piperidin-4-yl]benzamide is sourced from PubChem (CID 134803792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).