N-(4-fluorophenyl)-4-[methyl(pyridazin-3-yl)amino]piperidine-1-carboxamide

C17H20FN5O — CID 75515881

IUPACN-(4-fluorophenyl)-4-[methyl(pyridazin-3-yl)amino]piperidine-1-carboxamide
SMILESCN(c1cccnn1)C1CCN(C(=O)Nc2ccc(F)cc2)CC1
InChIInChI=1S/C17H20FN5O/c1-22(16-3-2-10-19-21-16)15-8-11-23(12-9-15)17(24)20-14-6-4-13(18)5-7-14/h2-7,10,15H,8-9,11-12H2,1H3,(H,20,24)
InChIKeyGZDHAVYVFVZTLL-UHFFFAOYSA-N
MW329.38 g/mol
LogP2.75
Rot. Bonds3

About N-(4-fluorophenyl)-4-[methyl(pyridazin-3-yl)amino]piperidine-1-carboxamide

N-(4-fluorophenyl)-4-[methyl(pyridazin-3-yl)amino]piperidine-1-carboxamide (PubChem CID 75515881) has the molecular formula C17H20FN5O and a molecular weight of 329.38 g/mol. Its IUPAC name is N-(4-fluorophenyl)-4-[methyl(pyridazin-3-yl)amino]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-4-[methyl(pyridazin-3-yl)amino]piperidine-1-carboxamide
PubChem CID75515881
Molecular FormulaC17H20FN5O
Molecular Weight329.38 g/mol
Exact Mass329.17
IUPAC NameN-(4-fluorophenyl)-4-[methyl(pyridazin-3-yl)amino]piperidine-1-carboxamide
SMILESCN(c1cccnn1)C1CCN(C(=O)Nc2ccc(F)cc2)CC1
InChIInChI=1S/C17H20FN5O/c1-22(16-3-2-10-19-21-16)15-8-11-23(12-9-15)17(24)20-14-6-4-13(18)5-7-14/h2-7,10,15H,8-9,11-12H2,1H3,(H,20,24)
InChIKeyGZDHAVYVFVZTLL-UHFFFAOYSA-N
XLogP2.75
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(4-fluorophenyl)-4-[methyl(pyridazin-3-yl)amino]piperidine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-4-[methyl(pyridazin-3-yl)amino]piperidine-1-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-4-[methyl(pyridazin-3-yl)amino]piperidine-1-carboxamide (CID 75515881) is N-(4-fluorophenyl)-4-[methyl(pyridazin-3-yl)amino]piperidine-1-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-4-[methyl(pyridazin-3-yl)amino]piperidine-1-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-4-[methyl(pyridazin-3-yl)amino]piperidine-1-carboxamide is CN(c1cccnn1)C1CCN(C(=O)Nc2ccc(F)cc2)CC1.
What is the InChIKey of N-(4-fluorophenyl)-4-[methyl(pyridazin-3-yl)amino]piperidine-1-carboxamide?
The InChIKey is GZDHAVYVFVZTLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN5O/c1-22(16-3-2-10-19-21-16)15-8-11-23(12-9-15)17(24)20-14-6-4-13(18)5-7-14/h2-7,10,15H,8-9,11-12H2,1H3,(H,20,24).
What are the key properties of N-(4-fluorophenyl)-4-[methyl(pyridazin-3-yl)amino]piperidine-1-carboxamide?
N-(4-fluorophenyl)-4-[methyl(pyridazin-3-yl)amino]piperidine-1-carboxamide has a molecular weight of 329.38 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-4-[methyl(pyridazin-3-yl)amino]piperidine-1-carboxamide is sourced from PubChem (CID 75515881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).