1-[6-(4-methoxyphenyl)pyridazin-3-yl]-N-(3-methylsulfanylphenyl)piperidine-4-carboxamide

C24H26N4O2S — CID 121071923

IUPAC1-[6-(4-methoxyphenyl)pyridazin-3-yl]-N-(3-methylsulfanylphenyl)piperidine-4-carboxamide
SMILESCOc1ccc(-c2ccc(N3CCC(C(=O)Nc4cccc(SC)c4)CC3)nn2)cc1
InChIInChI=1S/C24H26N4O2S/c1-30-20-8-6-17(7-9-20)22-10-11-23(27-26-22)28-14-12-18(13-15-28)24(29)25-19-4-3-5-21(16-19)31-2/h3-11,16,18H,12-15H2,1-2H3,(H,25,29)
InChIKeyBDVRBNUPGAHTEU-UHFFFAOYSA-N
MW434.57 g/mol
LogP4.73
Rot. Bonds6

About 1-[6-(4-methoxyphenyl)pyridazin-3-yl]-N-(3-methylsulfanylphenyl)piperidine-4-carboxamide

1-[6-(4-methoxyphenyl)pyridazin-3-yl]-N-(3-methylsulfanylphenyl)piperidine-4-carboxamide (PubChem CID 121071923) has the molecular formula C24H26N4O2S and a molecular weight of 434.57 g/mol. Its IUPAC name is 1-[6-(4-methoxyphenyl)pyridazin-3-yl]-N-(3-methylsulfanylphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[6-(4-methoxyphenyl)pyridazin-3-yl]-N-(3-methylsulfanylphenyl)piperidine-4-carboxamide
PubChem CID121071923
Molecular FormulaC24H26N4O2S
Molecular Weight434.57 g/mol
Exact Mass434.18
IUPAC Name1-[6-(4-methoxyphenyl)pyridazin-3-yl]-N-(3-methylsulfanylphenyl)piperidine-4-carboxamide
SMILESCOc1ccc(-c2ccc(N3CCC(C(=O)Nc4cccc(SC)c4)CC3)nn2)cc1
InChIInChI=1S/C24H26N4O2S/c1-30-20-8-6-17(7-9-20)22-10-11-23(27-26-22)28-14-12-18(13-15-28)24(29)25-19-4-3-5-21(16-19)31-2/h3-11,16,18H,12-15H2,1-2H3,(H,25,29)
InChIKeyBDVRBNUPGAHTEU-UHFFFAOYSA-N
XLogP4.73
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.57
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-acetamidophenyl)-1-[6-(4-methoxyphenyl)pyridazin-3-yl]piperidine-4-carboxamide
CID 30361652
N-(3-acetylphenyl)-1-[6-(4-methoxyphenyl)pyridazin-3-yl]piperidine-4-carboxamide
CID 30866725
N-(4-methoxyphenyl)-1-[6-(4-methylphenyl)pyridazin-3-yl]piperidine-4-carboxamide
CID 53025290
N-(4-methylsulfanylphenyl)-1-(6-phenylpyridazin-3-yl)piperidine-4-carboxamide
CID 121072060
1-[6-(4-methoxyphenyl)pyridazin-3-yl]-N-(1,2-oxazol-3-yl)piperidine-4-carboxamide
CID 121071892
N-(2,4-dimethoxyphenyl)-1-[6-(4-methylphenyl)pyridazin-3-yl]piperidine-4-carboxamide
CID 53025293
N-cyclopentyl-1-[6-(4-methoxyphenyl)pyridazin-3-yl]piperidine-4-carboxamide
CID 30361225
N-(3-fluorophenyl)-1-[6-(3-fluorophenyl)pyridazin-3-yl]piperidine-4-carboxamide
CID 53025334
1-[6-(4-methoxyphenyl)pyridazin-3-yl]-N-(2-methylpropyl)piperidine-4-carboxamide
CID 30361211
N-(3-methoxyphenyl)-1-[6-(4-methylphenyl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 53062144
1-[6-(4-fluorophenyl)pyrimidin-4-yl]-N-(4-methoxyphenyl)piperidine-4-carboxamide
CID 53061970
N-[(2-chlorophenyl)methyl]-1-[6-(4-methoxyphenyl)pyridazin-3-yl]piperidine-4-carboxamide
CID 30361507

Frequently Asked Questions

What is the IUPAC name of 1-[6-(4-methoxyphenyl)pyridazin-3-yl]-N-(3-methylsulfanylphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-[6-(4-methoxyphenyl)pyridazin-3-yl]-N-(3-methylsulfanylphenyl)piperidine-4-carboxamide (CID 121071923) is 1-[6-(4-methoxyphenyl)pyridazin-3-yl]-N-(3-methylsulfanylphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[6-(4-methoxyphenyl)pyridazin-3-yl]-N-(3-methylsulfanylphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[6-(4-methoxyphenyl)pyridazin-3-yl]-N-(3-methylsulfanylphenyl)piperidine-4-carboxamide is COc1ccc(-c2ccc(N3CCC(C(=O)Nc4cccc(SC)c4)CC3)nn2)cc1.
What is the InChIKey of 1-[6-(4-methoxyphenyl)pyridazin-3-yl]-N-(3-methylsulfanylphenyl)piperidine-4-carboxamide?
The InChIKey is BDVRBNUPGAHTEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O2S/c1-30-20-8-6-17(7-9-20)22-10-11-23(27-26-22)28-14-12-18(13-15-28)24(29)25-19-4-3-5-21(16-19)31-2/h3-11,16,18H,12-15H2,1-2H3,(H,25,29).
What are the key properties of 1-[6-(4-methoxyphenyl)pyridazin-3-yl]-N-(3-methylsulfanylphenyl)piperidine-4-carboxamide?
1-[6-(4-methoxyphenyl)pyridazin-3-yl]-N-(3-methylsulfanylphenyl)piperidine-4-carboxamide has a molecular weight of 434.57 g/mol, XLogP of 4.73, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(4-methoxyphenyl)pyridazin-3-yl]-N-(3-methylsulfanylphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 121071923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).