N-[4-fluoro-3-(trifluoromethyl)phenyl]-1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidine-4-carboxamide

C24H22F4N4O2 — CID 30363210

IUPACN-[4-fluoro-3-(trifluoromethyl)phenyl]-1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidine-4-carboxamide
SMILESCOc1ccccc1-c1ccc(N2CCC(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)CC2)nn1
InChIInChI=1S/C24H22F4N4O2/c1-34-21-5-3-2-4-17(21)20-8-9-22(31-30-20)32-12-10-15(11-13-32)23(33)29-16-6-7-19(25)18(14-16)24(26,27)28/h2-9,14-15H,10-13H2,1H3,(H,29,33)
InChIKeyFRXSXSVJUHZLNI-UHFFFAOYSA-N
MW474.46 g/mol
LogP5.17
Rot. Bonds5

About N-[4-fluoro-3-(trifluoromethyl)phenyl]-1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidine-4-carboxamide

N-[4-fluoro-3-(trifluoromethyl)phenyl]-1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidine-4-carboxamide (PubChem CID 30363210) has the molecular formula C24H22F4N4O2 and a molecular weight of 474.46 g/mol. Its IUPAC name is N-[4-fluoro-3-(trifluoromethyl)phenyl]-1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[4-fluoro-3-(trifluoromethyl)phenyl]-1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidine-4-carboxamide
PubChem CID30363210
Molecular FormulaC24H22F4N4O2
Molecular Weight474.46 g/mol
Exact Mass474.17
IUPAC NameN-[4-fluoro-3-(trifluoromethyl)phenyl]-1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidine-4-carboxamide
SMILESCOc1ccccc1-c1ccc(N2CCC(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)CC2)nn1
InChIInChI=1S/C24H22F4N4O2/c1-34-21-5-3-2-4-17(21)20-8-9-22(31-30-20)32-12-10-15(11-13-32)23(33)29-16-6-7-19(25)18(14-16)24(26,27)28/h2-9,14-15H,10-13H2,1H3,(H,29,33)
InChIKeyFRXSXSVJUHZLNI-UHFFFAOYSA-N
XLogP5.17
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.46
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-dimethoxyphenyl)-1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidine-4-carboxamide
CID 30363123
N-(3,4-dimethoxyphenyl)-1-[6-(2-methylphenyl)pyridazin-3-yl]piperidine-4-carboxamide
CID 30363714
N-(3-fluoro-4-methylphenyl)-1-[6-(2-methylphenyl)pyridazin-3-yl]piperidine-4-carboxamide
CID 30363862
N-[(4-fluorophenyl)methyl]-1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidine-4-carboxamide
CID 30363214
N-(4-fluoro-3-nitrophenyl)-1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 121070559
1-[6-(2-methoxyphenyl)pyridazin-3-yl]-N-[2-(trifluoromethyl)phenyl]piperidine-3-carboxamide
CID 121070532
N-(2,3-dichlorophenyl)-1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidine-4-carboxamide
CID 121071987
N-(2,5-difluorophenyl)-1-[6-(2-methylphenyl)pyridazin-3-yl]piperidine-4-carboxamide
CID 30363998
N-(3-chloro-4-fluorophenyl)-1-(6-phenylpyridazin-3-yl)piperidine-4-carboxamide
CID 30360826
[1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidin-4-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 30363003
1-(6-methoxypyridazin-3-yl)-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 71702503
(3S)-1-[6-(2-methoxyphenyl)pyridazin-3-yl]-N-(3-nitrophenyl)piperidine-3-carboxamide
CID 30354623

Frequently Asked Questions

What is the IUPAC name of N-[4-fluoro-3-(trifluoromethyl)phenyl]-1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidine-4-carboxamide?
The IUPAC name of N-[4-fluoro-3-(trifluoromethyl)phenyl]-1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidine-4-carboxamide (CID 30363210) is N-[4-fluoro-3-(trifluoromethyl)phenyl]-1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-[4-fluoro-3-(trifluoromethyl)phenyl]-1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidine-4-carboxamide?
The canonical SMILES for N-[4-fluoro-3-(trifluoromethyl)phenyl]-1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidine-4-carboxamide is COc1ccccc1-c1ccc(N2CCC(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)CC2)nn1.
What is the InChIKey of N-[4-fluoro-3-(trifluoromethyl)phenyl]-1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidine-4-carboxamide?
The InChIKey is FRXSXSVJUHZLNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F4N4O2/c1-34-21-5-3-2-4-17(21)20-8-9-22(31-30-20)32-12-10-15(11-13-32)23(33)29-16-6-7-19(25)18(14-16)24(26,27)28/h2-9,14-15H,10-13H2,1H3,(H,29,33).
What are the key properties of N-[4-fluoro-3-(trifluoromethyl)phenyl]-1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidine-4-carboxamide?
N-[4-fluoro-3-(trifluoromethyl)phenyl]-1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidine-4-carboxamide has a molecular weight of 474.46 g/mol, XLogP of 5.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-fluoro-3-(trifluoromethyl)phenyl]-1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidine-4-carboxamide is sourced from PubChem (CID 30363210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).