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

C24H23F3N4O2 — CID 121070532

IUPAC1-[6-(2-methoxyphenyl)pyridazin-3-yl]-N-[2-(trifluoromethyl)phenyl]piperidine-3-carboxamide
SMILESCOc1ccccc1-c1ccc(N2CCCC(C(=O)Nc3ccccc3C(F)(F)F)C2)nn1
InChIInChI=1S/C24H23F3N4O2/c1-33-21-11-5-2-8-17(21)19-12-13-22(30-29-19)31-14-6-7-16(15-31)23(32)28-20-10-4-3-9-18(20)24(25,26)27/h2-5,8-13,16H,6-7,14-15H2,1H3,(H,28,32)
InChIKeyCCDVRJSGWWJZQF-UHFFFAOYSA-N
MW456.47 g/mol
LogP5.03
Rot. Bonds5

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

1-[6-(2-methoxyphenyl)pyridazin-3-yl]-N-[2-(trifluoromethyl)phenyl]piperidine-3-carboxamide (PubChem CID 121070532) has the molecular formula C24H23F3N4O2 and a molecular weight of 456.47 g/mol. Its IUPAC name is 1-[6-(2-methoxyphenyl)pyridazin-3-yl]-N-[2-(trifluoromethyl)phenyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[6-(2-methoxyphenyl)pyridazin-3-yl]-N-[2-(trifluoromethyl)phenyl]piperidine-3-carboxamide
PubChem CID121070532
Molecular FormulaC24H23F3N4O2
Molecular Weight456.47 g/mol
Exact Mass456.18
IUPAC Name1-[6-(2-methoxyphenyl)pyridazin-3-yl]-N-[2-(trifluoromethyl)phenyl]piperidine-3-carboxamide
SMILESCOc1ccccc1-c1ccc(N2CCCC(C(=O)Nc3ccccc3C(F)(F)F)C2)nn1
InChIInChI=1S/C24H23F3N4O2/c1-33-21-11-5-2-8-17(21)19-12-13-22(30-29-19)31-14-6-7-16(15-31)23(32)28-20-10-4-3-9-18(20)24(25,26)27/h2-5,8-13,16H,6-7,14-15H2,1H3,(H,28,32)
InChIKeyCCDVRJSGWWJZQF-UHFFFAOYSA-N
XLogP5.03
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.47
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[6-(2-methoxyphenyl)pyridazin-3-yl]-N-[2-(6-oxo-1H-pyridazin-3-yl)phenyl]piperidine-3-carboxamide
CID 71805015
N-(2-methoxyphenyl)-1-[6-(2-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 121070660
N-(5-chloro-2-methoxyphenyl)-1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 121070569
(3S)-1-[6-(2-methoxyphenyl)pyridazin-3-yl]-N-(3-nitrophenyl)piperidine-3-carboxamide
CID 30354623
N-(2-fluorophenyl)-1-[6-(2-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 121070656
N-(4-fluoro-3-nitrophenyl)-1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 121070559
N-(5-chloro-2-methoxyphenyl)-1-[6-(2-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 121070721
N-[4-fluoro-3-(trifluoromethyl)phenyl]-1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidine-4-carboxamide
CID 30363210
1-[6-(2-methylphenyl)pyridazin-3-yl]-N-naphthalen-1-ylpiperidine-3-carboxamide
CID 121070694
[(3S)-1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidin-3-yl]-pyridin-2-ylmethanone
CID 95552211
[1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidin-3-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 121070472
N-(2,3-dichlorophenyl)-1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidine-4-carboxamide
CID 121071987

Frequently Asked Questions

What is the IUPAC name of 1-[6-(2-methoxyphenyl)pyridazin-3-yl]-N-[2-(trifluoromethyl)phenyl]piperidine-3-carboxamide?
The IUPAC name of 1-[6-(2-methoxyphenyl)pyridazin-3-yl]-N-[2-(trifluoromethyl)phenyl]piperidine-3-carboxamide (CID 121070532) is 1-[6-(2-methoxyphenyl)pyridazin-3-yl]-N-[2-(trifluoromethyl)phenyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[6-(2-methoxyphenyl)pyridazin-3-yl]-N-[2-(trifluoromethyl)phenyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[6-(2-methoxyphenyl)pyridazin-3-yl]-N-[2-(trifluoromethyl)phenyl]piperidine-3-carboxamide is COc1ccccc1-c1ccc(N2CCCC(C(=O)Nc3ccccc3C(F)(F)F)C2)nn1.
What is the InChIKey of 1-[6-(2-methoxyphenyl)pyridazin-3-yl]-N-[2-(trifluoromethyl)phenyl]piperidine-3-carboxamide?
The InChIKey is CCDVRJSGWWJZQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F3N4O2/c1-33-21-11-5-2-8-17(21)19-12-13-22(30-29-19)31-14-6-7-16(15-31)23(32)28-20-10-4-3-9-18(20)24(25,26)27/h2-5,8-13,16H,6-7,14-15H2,1H3,(H,28,32).
What are the key properties of 1-[6-(2-methoxyphenyl)pyridazin-3-yl]-N-[2-(trifluoromethyl)phenyl]piperidine-3-carboxamide?
1-[6-(2-methoxyphenyl)pyridazin-3-yl]-N-[2-(trifluoromethyl)phenyl]piperidine-3-carboxamide has a molecular weight of 456.47 g/mol, XLogP of 5.03, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(2-methoxyphenyl)pyridazin-3-yl]-N-[2-(trifluoromethyl)phenyl]piperidine-3-carboxamide is sourced from PubChem (CID 121070532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).