N-[(4-methylphenyl)methyl]-1-(6-phenylsulfanylpyridazin-3-yl)piperidine-4-carboxamide

C24H26N4OS — CID 50768566

IUPACN-[(4-methylphenyl)methyl]-1-(6-phenylsulfanylpyridazin-3-yl)piperidine-4-carboxamide
SMILESCc1ccc(CNC(=O)C2CCN(c3ccc(Sc4ccccc4)nn3)CC2)cc1
InChIInChI=1S/C24H26N4OS/c1-18-7-9-19(10-8-18)17-25-24(29)20-13-15-28(16-14-20)22-11-12-23(27-26-22)30-21-5-3-2-4-6-21/h2-12,20H,13-17H2,1H3,(H,25,29)
InChIKeyZWTLUPOSKZMUOX-UHFFFAOYSA-N
MW418.57 g/mol
LogP4.47
Rot. Bonds6

About N-[(4-methylphenyl)methyl]-1-(6-phenylsulfanylpyridazin-3-yl)piperidine-4-carboxamide

N-[(4-methylphenyl)methyl]-1-(6-phenylsulfanylpyridazin-3-yl)piperidine-4-carboxamide (PubChem CID 50768566) has the molecular formula C24H26N4OS and a molecular weight of 418.57 g/mol. Its IUPAC name is N-[(4-methylphenyl)methyl]-1-(6-phenylsulfanylpyridazin-3-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(4-methylphenyl)methyl]-1-(6-phenylsulfanylpyridazin-3-yl)piperidine-4-carboxamide
PubChem CID50768566
Molecular FormulaC24H26N4OS
Molecular Weight418.57 g/mol
Exact Mass418.18
IUPAC NameN-[(4-methylphenyl)methyl]-1-(6-phenylsulfanylpyridazin-3-yl)piperidine-4-carboxamide
SMILESCc1ccc(CNC(=O)C2CCN(c3ccc(Sc4ccccc4)nn3)CC2)cc1
InChIInChI=1S/C24H26N4OS/c1-18-7-9-19(10-8-18)17-25-24(29)20-13-15-28(16-14-20)22-11-12-23(27-26-22)30-21-5-3-2-4-6-21/h2-12,20H,13-17H2,1H3,(H,25,29)
InChIKeyZWTLUPOSKZMUOX-UHFFFAOYSA-N
XLogP4.47
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.57
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[6-(4-methylphenyl)sulfanylpyridazin-3-yl]piperidine-4-carboxylic acid
CID 45031091
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-(6-benzylsulfanylpyridazin-3-yl)-N-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide
CID 50768356
1-[6-(3-methoxyphenyl)sulfanylpyridazin-3-yl]-N-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide
CID 50768626
N-[(4-methylphenyl)methyl]-1-[3-(4-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidine-4-carboxamide
CID 50783357
N-[(4-fluorophenyl)methyl]-1-[6-(2-methylphenyl)pyridazin-3-yl]piperidine-4-carboxamide
CID 30363820
1-(6-benzylsulfanylpyridazin-3-yl)-N-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 50768357
N-(3-chloro-4-fluorophenyl)-1-[6-(4-methylphenyl)sulfanylpyridazin-3-yl]piperidine-4-carboxamide
CID 50743000
(3S)-N-[(4-methylphenyl)methyl]-1-(3-phenylsulfanylpyrazin-2-yl)piperidine-3-carboxamide
CID 92884309
1-[6-(4-chlorophenyl)sulfanylpyridazin-3-yl]-N-(3-methoxypropyl)piperidine-4-carboxamide
CID 50768489
1-(6-chloro-2-methylpyrimidin-4-yl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 133356405

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)methyl]-1-(6-phenylsulfanylpyridazin-3-yl)piperidine-4-carboxamide?
The IUPAC name of N-[(4-methylphenyl)methyl]-1-(6-phenylsulfanylpyridazin-3-yl)piperidine-4-carboxamide (CID 50768566) is N-[(4-methylphenyl)methyl]-1-(6-phenylsulfanylpyridazin-3-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-[(4-methylphenyl)methyl]-1-(6-phenylsulfanylpyridazin-3-yl)piperidine-4-carboxamide?
The canonical SMILES for N-[(4-methylphenyl)methyl]-1-(6-phenylsulfanylpyridazin-3-yl)piperidine-4-carboxamide is Cc1ccc(CNC(=O)C2CCN(c3ccc(Sc4ccccc4)nn3)CC2)cc1.
What is the InChIKey of N-[(4-methylphenyl)methyl]-1-(6-phenylsulfanylpyridazin-3-yl)piperidine-4-carboxamide?
The InChIKey is ZWTLUPOSKZMUOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4OS/c1-18-7-9-19(10-8-18)17-25-24(29)20-13-15-28(16-14-20)22-11-12-23(27-26-22)30-21-5-3-2-4-6-21/h2-12,20H,13-17H2,1H3,(H,25,29).
What are the key properties of N-[(4-methylphenyl)methyl]-1-(6-phenylsulfanylpyridazin-3-yl)piperidine-4-carboxamide?
N-[(4-methylphenyl)methyl]-1-(6-phenylsulfanylpyridazin-3-yl)piperidine-4-carboxamide has a molecular weight of 418.57 g/mol, XLogP of 4.47, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)methyl]-1-(6-phenylsulfanylpyridazin-3-yl)piperidine-4-carboxamide is sourced from PubChem (CID 50768566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).