1-(6-benzylsulfanylpyridazin-3-yl)-N-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide

C25H28N4O2S — CID 50768357

IUPAC1-(6-benzylsulfanylpyridazin-3-yl)-N-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide
SMILESCOc1cccc(CNC(=O)C2CCN(c3ccc(SCc4ccccc4)nn3)CC2)c1
InChIInChI=1S/C25H28N4O2S/c1-31-22-9-5-8-20(16-22)17-26-25(30)21-12-14-29(15-13-21)23-10-11-24(28-27-23)32-18-19-6-3-2-4-7-19/h2-11,16,21H,12-15,17-18H2,1H3,(H,26,30)
InChIKeySHPJUGKQYUUSKK-UHFFFAOYSA-N
MW448.59 g/mol
LogP4.31
Rot. Bonds8

About 1-(6-benzylsulfanylpyridazin-3-yl)-N-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide

1-(6-benzylsulfanylpyridazin-3-yl)-N-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide (PubChem CID 50768357) has the molecular formula C25H28N4O2S and a molecular weight of 448.59 g/mol. Its IUPAC name is 1-(6-benzylsulfanylpyridazin-3-yl)-N-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(6-benzylsulfanylpyridazin-3-yl)-N-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide
PubChem CID50768357
Molecular FormulaC25H28N4O2S
Molecular Weight448.59 g/mol
Exact Mass448.19
IUPAC Name1-(6-benzylsulfanylpyridazin-3-yl)-N-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide
SMILESCOc1cccc(CNC(=O)C2CCN(c3ccc(SCc4ccccc4)nn3)CC2)c1
InChIInChI=1S/C25H28N4O2S/c1-31-22-9-5-8-20(16-22)17-26-25(30)21-12-14-29(15-13-21)23-10-11-24(28-27-23)32-18-19-6-3-2-4-7-19/h2-11,16,21H,12-15,17-18H2,1H3,(H,26,30)
InChIKeySHPJUGKQYUUSKK-UHFFFAOYSA-N
XLogP4.31
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.59
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(6-benzylsulfanylpyridazin-3-yl)-N-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

1-(6-benzylsulfanylpyridazin-3-yl)-N-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide
CID 50768356
N-[(3-methoxyphenyl)methyl]-1-methylpiperidine-4-carboxamide
CID 70985796
N-benzyl-1-(6-pyrrolidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 50771931
N-[(3,4-dimethoxyphenyl)methyl]-1-[6-(3-fluorophenyl)sulfanylpyridazin-3-yl]piperidine-4-carboxamide
CID 50743627
1-(1-benzyl-6-oxopyridazin-4-yl)-N-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 53202280
1-[6-(3-methoxyphenyl)sulfanylpyridazin-3-yl]-N-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide
CID 50768626
N-benzyl-1-[1-(4-methoxyphenyl)-6-oxopyridazin-3-yl]piperidine-4-carboxamide
CID 53006530
N-[(4-methylphenyl)methyl]-1-(6-phenylsulfanylpyridazin-3-yl)piperidine-4-carboxamide
CID 50768566
N-(2-methoxyphenyl)-2-[4-[(3-methoxyphenyl)methylcarbamoyl]piperidin-1-yl]pyridine-4-carboxamide
CID 46360662
N-[(3-methoxyphenyl)methyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 5123401
1-(4-benzyl-3-oxoquinoxalin-2-yl)-N-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 30444897
N-[(3-methoxyphenyl)methyl]-1-(2-methylpropyl)piperidine-4-carboxamide
CID 47067999

Frequently Asked Questions

What is the IUPAC name of 1-(6-benzylsulfanylpyridazin-3-yl)-N-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-(6-benzylsulfanylpyridazin-3-yl)-N-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide (CID 50768357) is 1-(6-benzylsulfanylpyridazin-3-yl)-N-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(6-benzylsulfanylpyridazin-3-yl)-N-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(6-benzylsulfanylpyridazin-3-yl)-N-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide is COc1cccc(CNC(=O)C2CCN(c3ccc(SCc4ccccc4)nn3)CC2)c1.
What is the InChIKey of 1-(6-benzylsulfanylpyridazin-3-yl)-N-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide?
The InChIKey is SHPJUGKQYUUSKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O2S/c1-31-22-9-5-8-20(16-22)17-26-25(30)21-12-14-29(15-13-21)23-10-11-24(28-27-23)32-18-19-6-3-2-4-7-19/h2-11,16,21H,12-15,17-18H2,1H3,(H,26,30).
What are the key properties of 1-(6-benzylsulfanylpyridazin-3-yl)-N-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide?
1-(6-benzylsulfanylpyridazin-3-yl)-N-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide has a molecular weight of 448.59 g/mol, XLogP of 4.31, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-benzylsulfanylpyridazin-3-yl)-N-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 50768357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).