N-cyclohexyl-2-(6-pyridin-2-ylpyridazin-3-yl)sulfanylacetamide

C17H20N4OS — CID 7207329

IUPACN-cyclohexyl-2-(6-pyridin-2-ylpyridazin-3-yl)sulfanylacetamide
SMILESO=C(CSc1ccc(-c2ccccn2)nn1)NC1CCCCC1
InChIInChI=1S/C17H20N4OS/c22-16(19-13-6-2-1-3-7-13)12-23-17-10-9-15(20-21-17)14-8-4-5-11-18-14/h4-5,8-11,13H,1-3,6-7,12H2,(H,19,22)
InChIKeyLFRYWDSEPRISBT-UHFFFAOYSA-N
MW328.44 g/mol
LogP3.08
Rot. Bonds5

About N-cyclohexyl-2-(6-pyridin-2-ylpyridazin-3-yl)sulfanylacetamide

N-cyclohexyl-2-(6-pyridin-2-ylpyridazin-3-yl)sulfanylacetamide (PubChem CID 7207329) has the molecular formula C17H20N4OS and a molecular weight of 328.44 g/mol. Its IUPAC name is N-cyclohexyl-2-(6-pyridin-2-ylpyridazin-3-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(6-pyridin-2-ylpyridazin-3-yl)sulfanylacetamide
PubChem CID7207329
Molecular FormulaC17H20N4OS
Molecular Weight328.44 g/mol
Exact Mass328.14
IUPAC NameN-cyclohexyl-2-(6-pyridin-2-ylpyridazin-3-yl)sulfanylacetamide
SMILESO=C(CSc1ccc(-c2ccccn2)nn1)NC1CCCCC1
InChIInChI=1S/C17H20N4OS/c22-16(19-13-6-2-1-3-7-13)12-23-17-10-9-15(20-21-17)14-8-4-5-11-18-14/h4-5,8-11,13H,1-3,6-7,12H2,(H,19,22)
InChIKeyLFRYWDSEPRISBT-UHFFFAOYSA-N
XLogP3.08
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-Piperidin-1-yl-2-(6-pyridin-4-ylpyridazin-3-yl)sulfanylethanone
CID 6624152
2-(6-Pyridin-4-ylpyridazin-3-yl)sulfanyl-1-pyrrolidin-1-ylethanone
CID 7162441
N-(2,3-dimethylphenyl)-2-(6-pyridin-2-ylpyridazin-3-yl)sulfanylacetamide
CID 7207341
N-[(4-methylphenyl)methyl]-2-(6-pyridin-2-ylpyridazin-3-yl)sulfanylacetamide
CID 7207460
3-(2-Pyridinyl)-6-(2-pyridinylmethylthio)pyridazine
CID 7162438
1-(Indolin-1-yl)-2-((6-(pyridin-2-yl)pyridazin-3-yl)thio)ethanone
CID 7207393
N-[(4-chlorophenyl)methyl]-2-(6-pyridin-2-ylpyridazin-3-yl)sulfanylacetamide
CID 7207502
2-((6-(pyridin-3-yl)pyridazin-3-yl)thio)-N-(m-tolyl)acetamide
CID 7222431
N-(3,4-difluorophenyl)-2-(6-pyridin-3-ylpyridazin-3-yl)sulfanylacetamide
CID 7222501
2-(6-pyridin-3-ylpyridazin-3-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide
CID 7502916
2-((6-(pyridin-2-yl)pyridazin-3-yl)thio)-N-(m-tolyl)acetamide
CID 16019297
2-{[6-(Pyridin-2-YL)pyridazin-3-YL]sulfanyl}-N-(2,4,6-trimethylphenyl)acetamide
CID 16019299

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(6-pyridin-2-ylpyridazin-3-yl)sulfanylacetamide?
The IUPAC name of N-cyclohexyl-2-(6-pyridin-2-ylpyridazin-3-yl)sulfanylacetamide (CID 7207329) is N-cyclohexyl-2-(6-pyridin-2-ylpyridazin-3-yl)sulfanylacetamide.
What is the SMILES notation for N-cyclohexyl-2-(6-pyridin-2-ylpyridazin-3-yl)sulfanylacetamide?
The canonical SMILES for N-cyclohexyl-2-(6-pyridin-2-ylpyridazin-3-yl)sulfanylacetamide is O=C(CSc1ccc(-c2ccccn2)nn1)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-(6-pyridin-2-ylpyridazin-3-yl)sulfanylacetamide?
The InChIKey is LFRYWDSEPRISBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4OS/c22-16(19-13-6-2-1-3-7-13)12-23-17-10-9-15(20-21-17)14-8-4-5-11-18-14/h4-5,8-11,13H,1-3,6-7,12H2,(H,19,22).
What are the key properties of N-cyclohexyl-2-(6-pyridin-2-ylpyridazin-3-yl)sulfanylacetamide?
N-cyclohexyl-2-(6-pyridin-2-ylpyridazin-3-yl)sulfanylacetamide has a molecular weight of 328.44 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(6-pyridin-2-ylpyridazin-3-yl)sulfanylacetamide is sourced from PubChem (CID 7207329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).