1-[6-(4-methylphenyl)sulfanylpyridazin-3-yl]-N-naphthalen-1-ylpiperidine-3-carboxamide

C27H26N4OS — CID 46507687

IUPAC1-[6-(4-methylphenyl)sulfanylpyridazin-3-yl]-N-naphthalen-1-ylpiperidine-3-carboxamide
SMILESCc1ccc(Sc2ccc(N3CCCC(C(=O)Nc4cccc5ccccc45)C3)nn2)cc1
InChIInChI=1S/C27H26N4OS/c1-19-11-13-22(14-12-19)33-26-16-15-25(29-30-26)31-17-5-8-21(18-31)27(32)28-24-10-4-7-20-6-2-3-9-23(20)24/h2-4,6-7,9-16,21H,5,8,17-18H2,1H3,(H,28,32)
InChIKeyLFEWZWRQPAQLOM-UHFFFAOYSA-N
MW454.60 g/mol
LogP5.94
Rot. Bonds5

About 1-[6-(4-methylphenyl)sulfanylpyridazin-3-yl]-N-naphthalen-1-ylpiperidine-3-carboxamide

1-[6-(4-methylphenyl)sulfanylpyridazin-3-yl]-N-naphthalen-1-ylpiperidine-3-carboxamide (PubChem CID 46507687) has the molecular formula C27H26N4OS and a molecular weight of 454.60 g/mol. Its IUPAC name is 1-[6-(4-methylphenyl)sulfanylpyridazin-3-yl]-N-naphthalen-1-ylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[6-(4-methylphenyl)sulfanylpyridazin-3-yl]-N-naphthalen-1-ylpiperidine-3-carboxamide
PubChem CID46507687
Molecular FormulaC27H26N4OS
Molecular Weight454.60 g/mol
Exact Mass454.18
IUPAC Name1-[6-(4-methylphenyl)sulfanylpyridazin-3-yl]-N-naphthalen-1-ylpiperidine-3-carboxamide
SMILESCc1ccc(Sc2ccc(N3CCCC(C(=O)Nc4cccc5ccccc45)C3)nn2)cc1
InChIInChI=1S/C27H26N4OS/c1-19-11-13-22(14-12-19)33-26-16-15-25(29-30-26)31-17-5-8-21(18-31)27(32)28-24-10-4-7-20-6-2-3-9-23(20)24/h2-4,6-7,9-16,21H,5,8,17-18H2,1H3,(H,28,32)
InChIKeyLFEWZWRQPAQLOM-UHFFFAOYSA-N
XLogP5.94
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.60
LogP ≤ 55.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-N-cyclopentyl-1-[6-(4-methylphenyl)sulfanylpyridazin-3-yl]piperidine-3-carboxamide
CID 92866952
1-[6-(2-methylphenyl)pyridazin-3-yl]-N-naphthalen-1-ylpiperidine-3-carboxamide
CID 121070694
1-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]-N-naphthalen-1-ylpiperidine-3-carboxamide
CID 121103839
1-[6-(4-chlorophenyl)pyridazin-3-yl]-N-naphthalen-1-ylpiperidine-3-carboxamide
CID 121070412
N-(3-methylbutyl)-1-[6-(4-methylphenyl)sulfanylpyridazin-3-yl]piperidine-3-carboxamide
CID 46295707
N-naphthalen-1-yl-1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidine-3-carboxamide
CID 90601037
1-(6-methylpyridazin-3-yl)-N-naphthalen-1-ylpiperidine-4-carboxamide
CID 121118852
(3R)-1-(4-methylphenyl)sulfonyl-N-naphthalen-1-ylpiperidine-3-carboxamide
CID 1078452
N-(2,3-dimethylphenyl)-1-(6-methylpyridazin-3-yl)piperidine-3-carboxamide
CID 71794774
(3S)-1-[6-(4-bromophenyl)sulfanylpyridazin-3-yl]-N-[2-(dimethylamino)ethyl]piperidine-3-carboxamide
CID 95065879
1-[6-(4-methylphenyl)pyridazin-3-yl]-N-phenylpiperidine-3-carboxamide
CID 53025060
N-[(4-methylphenyl)methyl]-1-(6-phenylsulfanylpyridazin-3-yl)piperidine-4-carboxamide
CID 50768566

Frequently Asked Questions

What is the IUPAC name of 1-[6-(4-methylphenyl)sulfanylpyridazin-3-yl]-N-naphthalen-1-ylpiperidine-3-carboxamide?
The IUPAC name of 1-[6-(4-methylphenyl)sulfanylpyridazin-3-yl]-N-naphthalen-1-ylpiperidine-3-carboxamide (CID 46507687) is 1-[6-(4-methylphenyl)sulfanylpyridazin-3-yl]-N-naphthalen-1-ylpiperidine-3-carboxamide.
What is the SMILES notation for 1-[6-(4-methylphenyl)sulfanylpyridazin-3-yl]-N-naphthalen-1-ylpiperidine-3-carboxamide?
The canonical SMILES for 1-[6-(4-methylphenyl)sulfanylpyridazin-3-yl]-N-naphthalen-1-ylpiperidine-3-carboxamide is Cc1ccc(Sc2ccc(N3CCCC(C(=O)Nc4cccc5ccccc45)C3)nn2)cc1.
What is the InChIKey of 1-[6-(4-methylphenyl)sulfanylpyridazin-3-yl]-N-naphthalen-1-ylpiperidine-3-carboxamide?
The InChIKey is LFEWZWRQPAQLOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N4OS/c1-19-11-13-22(14-12-19)33-26-16-15-25(29-30-26)31-17-5-8-21(18-31)27(32)28-24-10-4-7-20-6-2-3-9-23(20)24/h2-4,6-7,9-16,21H,5,8,17-18H2,1H3,(H,28,32).
What are the key properties of 1-[6-(4-methylphenyl)sulfanylpyridazin-3-yl]-N-naphthalen-1-ylpiperidine-3-carboxamide?
1-[6-(4-methylphenyl)sulfanylpyridazin-3-yl]-N-naphthalen-1-ylpiperidine-3-carboxamide has a molecular weight of 454.60 g/mol, XLogP of 5.94, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(4-methylphenyl)sulfanylpyridazin-3-yl]-N-naphthalen-1-ylpiperidine-3-carboxamide is sourced from PubChem (CID 46507687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).