N-(4-methoxyphenyl)-1-[6-(4-methylphenyl)sulfonylpyridazin-3-yl]piperidine-4-carboxamide

C24H26N4O4S — CID 53043464

IUPACN-(4-methoxyphenyl)-1-[6-(4-methylphenyl)sulfonylpyridazin-3-yl]piperidine-4-carboxamide
SMILESCOc1ccc(NC(=O)C2CCN(c3ccc(S(=O)(=O)c4ccc(C)cc4)nn3)CC2)cc1
InChIInChI=1S/C24H26N4O4S/c1-17-3-9-21(10-4-17)33(30,31)23-12-11-22(26-27-23)28-15-13-18(14-16-28)24(29)25-19-5-7-20(32-2)8-6-19/h3-12,18H,13-16H2,1-2H3,(H,25,29)
InChIKeyBJFBTXICZZITNL-UHFFFAOYSA-N
MW466.56 g/mol
LogP3.48
Rot. Bonds6

About N-(4-methoxyphenyl)-1-[6-(4-methylphenyl)sulfonylpyridazin-3-yl]piperidine-4-carboxamide

N-(4-methoxyphenyl)-1-[6-(4-methylphenyl)sulfonylpyridazin-3-yl]piperidine-4-carboxamide (PubChem CID 53043464) has the molecular formula C24H26N4O4S and a molecular weight of 466.56 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-1-[6-(4-methylphenyl)sulfonylpyridazin-3-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-1-[6-(4-methylphenyl)sulfonylpyridazin-3-yl]piperidine-4-carboxamide
PubChem CID53043464
Molecular FormulaC24H26N4O4S
Molecular Weight466.56 g/mol
Exact Mass466.17
IUPAC NameN-(4-methoxyphenyl)-1-[6-(4-methylphenyl)sulfonylpyridazin-3-yl]piperidine-4-carboxamide
SMILESCOc1ccc(NC(=O)C2CCN(c3ccc(S(=O)(=O)c4ccc(C)cc4)nn3)CC2)cc1
InChIInChI=1S/C24H26N4O4S/c1-17-3-9-21(10-4-17)33(30,31)23-12-11-22(26-27-23)28-15-13-18(14-16-28)24(29)25-19-5-7-20(32-2)8-6-19/h3-12,18H,13-16H2,1-2H3,(H,25,29)
InChIKeyBJFBTXICZZITNL-UHFFFAOYSA-N
XLogP3.48
TPSA101.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.56
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-methoxyphenyl)-1-[6-(4-methylphenyl)pyridazin-3-yl]piperidine-4-carboxamide
CID 53025290
N-(2-ethylphenyl)-1-[6-(4-methylphenyl)sulfonylpyridazin-3-yl]piperidine-4-carboxamide
CID 30844895
(3S)-N-(4-methoxyphenyl)-1-[6-(4-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 93055834
1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-methylphenyl)piperidine-4-carboxamide
CID 46257727
N-(2,4-dimethoxyphenyl)-1-[6-(4-methylphenyl)pyridazin-3-yl]piperidine-4-carboxamide
CID 53025293
(3S)-1-(4-methoxyphenyl)sulfonyl-N-(4-methylphenyl)piperidine-3-carboxamide
CID 1081613
N-(3-acetamidophenyl)-1-[6-(4-methoxyphenyl)pyridazin-3-yl]piperidine-4-carboxamide
CID 30361652
N-(4-acetylphenyl)-1-(6-methoxypyridazin-3-yl)piperidine-4-carboxamide
CID 71708418
N-(4-methoxyphenyl)-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 53284727
N-(4-methoxyphenyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 3223122
N-(4-fluorophenyl)-1-(6-methylpyridazin-3-yl)piperidine-4-carboxamide
CID 121118787
N-(3-acetylphenyl)-1-[6-(4-methoxyphenyl)pyridazin-3-yl]piperidine-4-carboxamide
CID 30866725

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-1-[6-(4-methylphenyl)sulfonylpyridazin-3-yl]piperidine-4-carboxamide?
The IUPAC name of N-(4-methoxyphenyl)-1-[6-(4-methylphenyl)sulfonylpyridazin-3-yl]piperidine-4-carboxamide (CID 53043464) is N-(4-methoxyphenyl)-1-[6-(4-methylphenyl)sulfonylpyridazin-3-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-(4-methoxyphenyl)-1-[6-(4-methylphenyl)sulfonylpyridazin-3-yl]piperidine-4-carboxamide?
The canonical SMILES for N-(4-methoxyphenyl)-1-[6-(4-methylphenyl)sulfonylpyridazin-3-yl]piperidine-4-carboxamide is COc1ccc(NC(=O)C2CCN(c3ccc(S(=O)(=O)c4ccc(C)cc4)nn3)CC2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-1-[6-(4-methylphenyl)sulfonylpyridazin-3-yl]piperidine-4-carboxamide?
The InChIKey is BJFBTXICZZITNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O4S/c1-17-3-9-21(10-4-17)33(30,31)23-12-11-22(26-27-23)28-15-13-18(14-16-28)24(29)25-19-5-7-20(32-2)8-6-19/h3-12,18H,13-16H2,1-2H3,(H,25,29).
What are the key properties of N-(4-methoxyphenyl)-1-[6-(4-methylphenyl)sulfonylpyridazin-3-yl]piperidine-4-carboxamide?
N-(4-methoxyphenyl)-1-[6-(4-methylphenyl)sulfonylpyridazin-3-yl]piperidine-4-carboxamide has a molecular weight of 466.56 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-1-[6-(4-methylphenyl)sulfonylpyridazin-3-yl]piperidine-4-carboxamide is sourced from PubChem (CID 53043464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).