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

C16H18FN5O — CID 113040220

IUPAC2-fluoro-N-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]benzamide
SMILESCN1CCN(c2ccc(NC(=O)c3ccccc3F)nn2)CC1
InChIInChI=1S/C16H18FN5O/c1-21-8-10-22(11-9-21)15-7-6-14(19-20-15)18-16(23)12-4-2-3-5-13(12)17/h2-7H,8-11H2,1H3,(H,18,19,23)
InChIKeyYSHAFHPEHAKYSM-UHFFFAOYSA-N
MW315.35 g/mol
LogP1.62
Rot. Bonds3

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

2-fluoro-N-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]benzamide (PubChem CID 113040220) has the molecular formula C16H18FN5O and a molecular weight of 315.35 g/mol. Its IUPAC name is 2-fluoro-N-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]benzamide
PubChem CID113040220
Molecular FormulaC16H18FN5O
Molecular Weight315.35 g/mol
Exact Mass315.15
IUPAC Name2-fluoro-N-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]benzamide
SMILESCN1CCN(c2ccc(NC(=O)c3ccccc3F)nn2)CC1
InChIInChI=1S/C16H18FN5O/c1-21-8-10-22(11-9-21)15-7-6-14(19-20-15)18-16(23)12-4-2-3-5-13(12)17/h2-7H,8-11H2,1H3,(H,18,19,23)
InChIKeyYSHAFHPEHAKYSM-UHFFFAOYSA-N
XLogP1.62
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-fluoro-N-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]benzamide
CID 113039196
2-fluoro-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]benzamide
CID 90543726
2-fluoro-N-[3-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]benzamide
CID 7422407
N-[6-[4-(2-fluorophenyl)piperazin-1-yl]pyridazin-3-yl]acetamide
CID 113043749
N-[6-[4-(2-fluorophenyl)piperazin-1-yl]pyridazin-3-yl]furan-2-carboxamide
CID 113043760
N-[6-(4-acetylpiperazin-1-yl)pyridazin-3-yl]-2-chloro-6-fluorobenzamide
CID 113040581
2-fluoro-N-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]benzamide
CID 7593284
ethyl 4-[6-[(2-methylbenzoyl)amino]pyridazin-3-yl]piperazine-1-carboxylate
CID 113043578
N-[6-(cyclopropylamino)pyridazin-3-yl]-2-fluorobenzamide
CID 113038054
2,3,4-trifluoro-N-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]benzamide
CID 113039235
2-fluoro-N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]benzamide
CID 90545166
(2-fluorophenyl)-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 7292349

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]benzamide?
The IUPAC name of 2-fluoro-N-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]benzamide (CID 113040220) is 2-fluoro-N-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]benzamide.
What is the SMILES notation for 2-fluoro-N-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]benzamide?
The canonical SMILES for 2-fluoro-N-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]benzamide is CN1CCN(c2ccc(NC(=O)c3ccccc3F)nn2)CC1.
What is the InChIKey of 2-fluoro-N-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]benzamide?
The InChIKey is YSHAFHPEHAKYSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN5O/c1-21-8-10-22(11-9-21)15-7-6-14(19-20-15)18-16(23)12-4-2-3-5-13(12)17/h2-7H,8-11H2,1H3,(H,18,19,23).
What are the key properties of 2-fluoro-N-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]benzamide?
2-fluoro-N-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]benzamide has a molecular weight of 315.35 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]benzamide is sourced from PubChem (CID 113040220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).