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

C17H17F3N4O — CID 113039235

IUPAC2,3,4-trifluoro-N-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]benzamide
SMILESCC1CCN(c2ccc(NC(=O)c3ccc(F)c(F)c3F)nn2)CC1
InChIInChI=1S/C17H17F3N4O/c1-10-6-8-24(9-7-10)14-5-4-13(22-23-14)21-17(25)11-2-3-12(18)16(20)15(11)19/h2-5,10H,6-9H2,1H3,(H,21,22,25)
InChIKeyCAWPSNGWQPDEHP-UHFFFAOYSA-N
MW350.34 g/mol
LogP3.38
Rot. Bonds3

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

2,3,4-trifluoro-N-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]benzamide (PubChem CID 113039235) has the molecular formula C17H17F3N4O and a molecular weight of 350.34 g/mol. Its IUPAC name is 2,3,4-trifluoro-N-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]benzamide.

Molecular Properties

Compound Name2,3,4-trifluoro-N-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]benzamide
PubChem CID113039235
Molecular FormulaC17H17F3N4O
Molecular Weight350.34 g/mol
Exact Mass350.14
IUPAC Name2,3,4-trifluoro-N-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]benzamide
SMILESCC1CCN(c2ccc(NC(=O)c3ccc(F)c(F)c3F)nn2)CC1
InChIInChI=1S/C17H17F3N4O/c1-10-6-8-24(9-7-10)14-5-4-13(22-23-14)21-17(25)11-2-3-12(18)16(20)15(11)19/h2-5,10H,6-9H2,1H3,(H,21,22,25)
InChIKeyCAWPSNGWQPDEHP-UHFFFAOYSA-N
XLogP3.38
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.34
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-fluoro-N-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]benzamide
CID 113039196
2-(4-chlorophenoxy)-N-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]acetamide
CID 113039221
2-(4-bromophenyl)-N-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]acetamide
CID 113039247
2-fluoro-N-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]benzamide
CID 113040220
N-(4-chlorophenyl)-4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperazine-1-carboxamide
CID 122336002
4-chloro-N-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]benzenesulfonamide
CID 113039262
6-(4-methylpiperidin-1-yl)pyridazine-3-carboxylic acid
CID 20982966
N-[6-[(1,1-dioxothiolan-3-yl)amino]pyridazin-3-yl]-2,3,4-trifluorobenzamide
CID 113042948
2-(3-bromophenyl)-N-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]acetamide
CID 113039248
2,3,4-trifluoro-N-[6-(pentylamino)pyridazin-3-yl]benzamide
CID 113044681
3-(dimethylsulfamoylamino)-6-(4-methylpiperidin-1-yl)pyridazine
CID 113039258
[4-[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]-(2,3,4-trifluorophenyl)methanone
CID 122351437

Frequently Asked Questions

What is the IUPAC name of 2,3,4-trifluoro-N-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]benzamide?
The IUPAC name of 2,3,4-trifluoro-N-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]benzamide (CID 113039235) is 2,3,4-trifluoro-N-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]benzamide.
What is the SMILES notation for 2,3,4-trifluoro-N-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]benzamide?
The canonical SMILES for 2,3,4-trifluoro-N-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]benzamide is CC1CCN(c2ccc(NC(=O)c3ccc(F)c(F)c3F)nn2)CC1.
What is the InChIKey of 2,3,4-trifluoro-N-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]benzamide?
The InChIKey is CAWPSNGWQPDEHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N4O/c1-10-6-8-24(9-7-10)14-5-4-13(22-23-14)21-17(25)11-2-3-12(18)16(20)15(11)19/h2-5,10H,6-9H2,1H3,(H,21,22,25).
What are the key properties of 2,3,4-trifluoro-N-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]benzamide?
2,3,4-trifluoro-N-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]benzamide has a molecular weight of 350.34 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trifluoro-N-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]benzamide is sourced from PubChem (CID 113039235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).