N-[6-[4-(2-fluorophenyl)piperazin-1-yl]pyridazin-3-yl]acetamide

C16H18FN5O — CID 113043749

IUPACN-[6-[4-(2-fluorophenyl)piperazin-1-yl]pyridazin-3-yl]acetamide
SMILESCC(=O)Nc1ccc(N2CCN(c3ccccc3F)CC2)nn1
InChIInChI=1S/C16H18FN5O/c1-12(23)18-15-6-7-16(20-19-15)22-10-8-21(9-11-22)14-5-3-2-4-13(14)17/h2-7H,8-11H2,1H3,(H,18,19,23)
InChIKeyQBWKSVBYVSJBLJ-UHFFFAOYSA-N
MW315.35 g/mol
LogP1.90
Rot. Bonds3

About N-[6-[4-(2-fluorophenyl)piperazin-1-yl]pyridazin-3-yl]acetamide

N-[6-[4-(2-fluorophenyl)piperazin-1-yl]pyridazin-3-yl]acetamide (PubChem CID 113043749) has the molecular formula C16H18FN5O and a molecular weight of 315.35 g/mol. Its IUPAC name is N-[6-[4-(2-fluorophenyl)piperazin-1-yl]pyridazin-3-yl]acetamide.

Molecular Properties

Compound NameN-[6-[4-(2-fluorophenyl)piperazin-1-yl]pyridazin-3-yl]acetamide
PubChem CID113043749
Molecular FormulaC16H18FN5O
Molecular Weight315.35 g/mol
Exact Mass315.15
IUPAC NameN-[6-[4-(2-fluorophenyl)piperazin-1-yl]pyridazin-3-yl]acetamide
SMILESCC(=O)Nc1ccc(N2CCN(c3ccccc3F)CC2)nn1
InChIInChI=1S/C16H18FN5O/c1-12(23)18-15-6-7-16(20-19-15)22-10-8-21(9-11-22)14-5-3-2-4-13(14)17/h2-7H,8-11H2,1H3,(H,18,19,23)
InChIKeyQBWKSVBYVSJBLJ-UHFFFAOYSA-N
XLogP1.90
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 ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-[4-(2-fluorophenyl)piperazin-1-yl]pyridazin-3-yl]furan-2-carboxamide
CID 113043760
3-(dimethylsulfamoylamino)-6-[4-(2-fluorophenyl)piperazin-1-yl]pyridazine
CID 113043785
2-fluoro-N-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]benzamide
CID 113040220
2-fluoro-N-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]benzamide
CID 113039196
[6-[4-(2-fluorophenyl)piperazin-1-yl]pyridazin-3-yl]methanol
CID 61254158
6-[4-(2-fluorophenyl)piperazin-1-yl]-N-(3-methylbutyl)pyridazine-3-carboxamide
CID 109124021
N-[6-(4-acetylpiperazin-1-yl)pyridazin-3-yl]-2-chloro-6-fluorobenzamide
CID 113040581
methyl 6-[4-(2-fluorophenyl)piperazin-1-yl]-2-methoxypyridine-3-carboxylate
CID 133487964
N-[6-[4-(2-methoxyphenyl)piperazin-1-yl]pyridazin-3-yl]benzamide
CID 113043687
3-[4-(2-fluorophenyl)piperazin-1-yl]-6-phenylpyridazine
CID 29134956
1-[6-[4-(2-methoxyphenyl)piperazin-1-yl]pyridazin-3-yl]-3-propan-2-ylurea
CID 113043694
6-[4-(2-fluorophenyl)piperazin-1-yl]-N-prop-2-enylpyridazine-3-carboxamide
CID 109110446

Frequently Asked Questions

What is the IUPAC name of N-[6-[4-(2-fluorophenyl)piperazin-1-yl]pyridazin-3-yl]acetamide?
The IUPAC name of N-[6-[4-(2-fluorophenyl)piperazin-1-yl]pyridazin-3-yl]acetamide (CID 113043749) is N-[6-[4-(2-fluorophenyl)piperazin-1-yl]pyridazin-3-yl]acetamide.
What is the SMILES notation for N-[6-[4-(2-fluorophenyl)piperazin-1-yl]pyridazin-3-yl]acetamide?
The canonical SMILES for N-[6-[4-(2-fluorophenyl)piperazin-1-yl]pyridazin-3-yl]acetamide is CC(=O)Nc1ccc(N2CCN(c3ccccc3F)CC2)nn1.
What is the InChIKey of N-[6-[4-(2-fluorophenyl)piperazin-1-yl]pyridazin-3-yl]acetamide?
The InChIKey is QBWKSVBYVSJBLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN5O/c1-12(23)18-15-6-7-16(20-19-15)22-10-8-21(9-11-22)14-5-3-2-4-13(14)17/h2-7H,8-11H2,1H3,(H,18,19,23).
What are the key properties of N-[6-[4-(2-fluorophenyl)piperazin-1-yl]pyridazin-3-yl]acetamide?
N-[6-[4-(2-fluorophenyl)piperazin-1-yl]pyridazin-3-yl]acetamide has a molecular weight of 315.35 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[4-(2-fluorophenyl)piperazin-1-yl]pyridazin-3-yl]acetamide is sourced from PubChem (CID 113043749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).