N-[(4-methylphenyl)methyl]-2-(6-pyridin-2-ylpyridazin-3-yl)sulfanylacetamide

C19H18N4OS — CID 7207460

IUPACN-[(4-methylphenyl)methyl]-2-(6-pyridin-2-ylpyridazin-3-yl)sulfanylacetamide
SMILESCc1ccc(CNC(=O)CSc2ccc(-c3ccccn3)nn2)cc1
InChIInChI=1S/C19H18N4OS/c1-14-5-7-15(8-6-14)12-21-18(24)13-25-19-10-9-17(22-23-19)16-4-2-3-11-20-16/h2-11H,12-13H2,1H3,(H,21,24)
InChIKeyPLQVSNMDMCCIEQ-UHFFFAOYSA-N
MW350.45 g/mol
LogP3.26
Rot. Bonds6

About N-[(4-methylphenyl)methyl]-2-(6-pyridin-2-ylpyridazin-3-yl)sulfanylacetamide

N-[(4-methylphenyl)methyl]-2-(6-pyridin-2-ylpyridazin-3-yl)sulfanylacetamide (PubChem CID 7207460) has the molecular formula C19H18N4OS and a molecular weight of 350.45 g/mol. Its IUPAC name is N-[(4-methylphenyl)methyl]-2-(6-pyridin-2-ylpyridazin-3-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-[(4-methylphenyl)methyl]-2-(6-pyridin-2-ylpyridazin-3-yl)sulfanylacetamide
PubChem CID7207460
Molecular FormulaC19H18N4OS
Molecular Weight350.45 g/mol
Exact Mass350.12
IUPAC NameN-[(4-methylphenyl)methyl]-2-(6-pyridin-2-ylpyridazin-3-yl)sulfanylacetamide
SMILESCc1ccc(CNC(=O)CSc2ccc(-c3ccccn3)nn2)cc1
InChIInChI=1S/C19H18N4OS/c1-14-5-7-15(8-6-14)12-21-18(24)13-25-19-10-9-17(22-23-19)16-4-2-3-11-20-16/h2-11H,12-13H2,1H3,(H,21,24)
InChIKeyPLQVSNMDMCCIEQ-UHFFFAOYSA-N
XLogP3.26
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.45
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-Benzylsulfanyl-6-pyridin-2-ylpyridazine
CID 7207303
N-(4-phenylbutan-2-yl)-2-pyridin-2-ylsulfanylacetamide
CID 5060029
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
3-Benzylsulfanyl-6-pyridin-3-ylpyridazine
CID 7207304
N-(2,3-dimethylphenyl)-2-(6-pyridin-2-ylpyridazin-3-yl)sulfanylacetamide
CID 7207341
3-(4-Ethylphenyl)-6-(pyridin-2-ylmethylsulfanyl)pyridazine
CID 7162180
N-cyclohexyl-2-[[6-(2-pyridinyl)-3-pyridazinyl]thio]acetamide
CID 7207329
1-(Indolin-1-yl)-2-((6-(pyridin-2-yl)pyridazin-3-yl)thio)ethanone
CID 7207393
N-(3-acetylphenyl)-2-((6-(pyridin-2-yl)pyridazin-3-yl)thio)acetamide
CID 7207435
N-(3-chloro-2-methylphenyl)-2-(6-pyridin-3-ylpyridazin-3-yl)sulfanylacetamide
CID 7207497
N-[(4-chlorophenyl)methyl]-2-(6-pyridin-2-ylpyridazin-3-yl)sulfanylacetamide
CID 7207502

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)methyl]-2-(6-pyridin-2-ylpyridazin-3-yl)sulfanylacetamide?
The IUPAC name of N-[(4-methylphenyl)methyl]-2-(6-pyridin-2-ylpyridazin-3-yl)sulfanylacetamide (CID 7207460) is N-[(4-methylphenyl)methyl]-2-(6-pyridin-2-ylpyridazin-3-yl)sulfanylacetamide.
What is the SMILES notation for N-[(4-methylphenyl)methyl]-2-(6-pyridin-2-ylpyridazin-3-yl)sulfanylacetamide?
The canonical SMILES for N-[(4-methylphenyl)methyl]-2-(6-pyridin-2-ylpyridazin-3-yl)sulfanylacetamide is Cc1ccc(CNC(=O)CSc2ccc(-c3ccccn3)nn2)cc1.
What is the InChIKey of N-[(4-methylphenyl)methyl]-2-(6-pyridin-2-ylpyridazin-3-yl)sulfanylacetamide?
The InChIKey is PLQVSNMDMCCIEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4OS/c1-14-5-7-15(8-6-14)12-21-18(24)13-25-19-10-9-17(22-23-19)16-4-2-3-11-20-16/h2-11H,12-13H2,1H3,(H,21,24).
What are the key properties of N-[(4-methylphenyl)methyl]-2-(6-pyridin-2-ylpyridazin-3-yl)sulfanylacetamide?
N-[(4-methylphenyl)methyl]-2-(6-pyridin-2-ylpyridazin-3-yl)sulfanylacetamide has a molecular weight of 350.45 g/mol, XLogP of 3.26, 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]-2-(6-pyridin-2-ylpyridazin-3-yl)sulfanylacetamide is sourced from PubChem (CID 7207460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).