2-fluoro-N-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]benzamide

C17H19FN4O — CID 113039196

IUPAC2-fluoro-N-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]benzamide
SMILESCC1CCN(c2ccc(NC(=O)c3ccccc3F)nn2)CC1
InChIInChI=1S/C17H19FN4O/c1-12-8-10-22(11-9-12)16-7-6-15(20-21-16)19-17(23)13-4-2-3-5-14(13)18/h2-7,12H,8-11H2,1H3,(H,19,20,23)
InChIKeyNGQQRHXWWCLMRP-UHFFFAOYSA-N
MW314.36 g/mol
LogP3.10
Rot. Bonds3

About 2-fluoro-N-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]benzamide

2-fluoro-N-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]benzamide (PubChem CID 113039196) has the molecular formula C17H19FN4O and a molecular weight of 314.36 g/mol. Its IUPAC name is 2-fluoro-N-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]benzamide
PubChem CID113039196
Molecular FormulaC17H19FN4O
Molecular Weight314.36 g/mol
Exact Mass314.15
IUPAC Name2-fluoro-N-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]benzamide
SMILESCC1CCN(c2ccc(NC(=O)c3ccccc3F)nn2)CC1
InChIInChI=1S/C17H19FN4O/c1-12-8-10-22(11-9-12)16-7-6-15(20-21-16)19-17(23)13-4-2-3-5-14(13)18/h2-7,12H,8-11H2,1H3,(H,19,20,23)
InChIKeyNGQQRHXWWCLMRP-UHFFFAOYSA-N
XLogP3.10
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-fluoro-N-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]benzamide
CID 113040220
2,3,4-trifluoro-N-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]benzamide
CID 113039235
N-[6-(cyclopropylamino)pyridazin-3-yl]-2-fluorobenzamide
CID 113038054
2-(4-chlorophenoxy)-N-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]acetamide
CID 113039221
N-[6-[4-(2-fluorophenyl)piperazin-1-yl]pyridazin-3-yl]acetamide
CID 113043749
2-(4-bromophenyl)-N-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]acetamide
CID 113039247
2-(2-fluorophenyl)-1-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanone
CID 122336125
2-(3-bromophenyl)-N-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]acetamide
CID 113039248
5-[(2-fluorobenzoyl)amino]-2-(4-methylpiperidin-1-yl)-N-propan-2-ylbenzamide
CID 1063277
2-fluoro-N-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]benzamide
CID 7593284
2-fluoro-N-[[4-(4-methylpiperidin-1-yl)phenyl]carbamothioyl]benzamide
CID 21234816
2-iodo-N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]benzamide
CID 90545945

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]benzamide?
The IUPAC name of 2-fluoro-N-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]benzamide (CID 113039196) is 2-fluoro-N-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]benzamide.
What is the SMILES notation for 2-fluoro-N-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]benzamide?
The canonical SMILES for 2-fluoro-N-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]benzamide is CC1CCN(c2ccc(NC(=O)c3ccccc3F)nn2)CC1.
What is the InChIKey of 2-fluoro-N-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]benzamide?
The InChIKey is NGQQRHXWWCLMRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4O/c1-12-8-10-22(11-9-12)16-7-6-15(20-21-16)19-17(23)13-4-2-3-5-14(13)18/h2-7,12H,8-11H2,1H3,(H,19,20,23).
What are the key properties of 2-fluoro-N-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]benzamide?
2-fluoro-N-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]benzamide has a molecular weight of 314.36 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]benzamide is sourced from PubChem (CID 113039196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).