2-[3-(4-methylsulfanylphenyl)-6-oxopyridazin-1-yl]-N-(pyridin-2-ylmethyl)acetamide

C19H18N4O2S — CID 52899767

IUPAC2-[3-(4-methylsulfanylphenyl)-6-oxopyridazin-1-yl]-N-(pyridin-2-ylmethyl)acetamide
SMILESCSc1ccc(-c2ccc(=O)n(CC(=O)NCc3ccccn3)n2)cc1
InChIInChI=1S/C19H18N4O2S/c1-26-16-7-5-14(6-8-16)17-9-10-19(25)23(22-17)13-18(24)21-12-15-4-2-3-11-20-15/h2-11H,12-13H2,1H3,(H,21,24)
InChIKeyJFBYRVGYSCHVHF-UHFFFAOYSA-N
MW366.45 g/mol
LogP2.34
Rot. Bonds6

About 2-[3-(4-methylsulfanylphenyl)-6-oxopyridazin-1-yl]-N-(pyridin-2-ylmethyl)acetamide

2-[3-(4-methylsulfanylphenyl)-6-oxopyridazin-1-yl]-N-(pyridin-2-ylmethyl)acetamide (PubChem CID 52899767) has the molecular formula C19H18N4O2S and a molecular weight of 366.45 g/mol. Its IUPAC name is 2-[3-(4-methylsulfanylphenyl)-6-oxopyridazin-1-yl]-N-(pyridin-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[3-(4-methylsulfanylphenyl)-6-oxopyridazin-1-yl]-N-(pyridin-2-ylmethyl)acetamide
PubChem CID52899767
Molecular FormulaC19H18N4O2S
Molecular Weight366.45 g/mol
Exact Mass366.12
IUPAC Name2-[3-(4-methylsulfanylphenyl)-6-oxopyridazin-1-yl]-N-(pyridin-2-ylmethyl)acetamide
SMILESCSc1ccc(-c2ccc(=O)n(CC(=O)NCc3ccccn3)n2)cc1
InChIInChI=1S/C19H18N4O2S/c1-26-16-7-5-14(6-8-16)17-9-10-19(25)23(22-17)13-18(24)21-12-15-4-2-3-11-20-15/h2-11H,12-13H2,1H3,(H,21,24)
InChIKeyJFBYRVGYSCHVHF-UHFFFAOYSA-N
XLogP2.34
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.45
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 5156979
2-[3-(1,3-benzodioxol-5-yl)-6-oxopyridazin-1-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 121051180
3-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]-N-(pyridin-2-ylmethyl)propanamide
CID 71825211
(2S)-2-[[2-[3-(4-methylsulfanylphenyl)-6-oxopyridazin-1-yl]acetyl]amino]-3-phenylpropanoic acid
CID 52901301
4-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(pyridin-2-ylmethyl)butanamide
CID 16885051
N-[2-(1H-indol-3-yl)ethyl]-2-[3-(4-methylsulfanylphenyl)-6-oxopyridazin-1-yl]acetamide
CID 52899053
N-(4-methylsulfanylphenyl)-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)acetamide
CID 121052732
2-[3-(4-methylsulfanylphenyl)-6-oxopyridazin-1-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 56723836
2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(4-methylsulfanylphenyl)acetamide
CID 121050323
N-(4-methoxyphenyl)-2-[3-(4-methylsulfanylphenyl)-6-oxopyridazin-1-yl]acetamide
CID 53370402
(2R,3R)-3-methyl-2-[[2-[3-(4-methylsulfanylphenyl)-6-oxopyridazin-1-yl]acetyl]amino]pentanoic acid
CID 95395022
2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]acetamide
CID 121050677

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-methylsulfanylphenyl)-6-oxopyridazin-1-yl]-N-(pyridin-2-ylmethyl)acetamide?
The IUPAC name of 2-[3-(4-methylsulfanylphenyl)-6-oxopyridazin-1-yl]-N-(pyridin-2-ylmethyl)acetamide (CID 52899767) is 2-[3-(4-methylsulfanylphenyl)-6-oxopyridazin-1-yl]-N-(pyridin-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[3-(4-methylsulfanylphenyl)-6-oxopyridazin-1-yl]-N-(pyridin-2-ylmethyl)acetamide?
The canonical SMILES for 2-[3-(4-methylsulfanylphenyl)-6-oxopyridazin-1-yl]-N-(pyridin-2-ylmethyl)acetamide is CSc1ccc(-c2ccc(=O)n(CC(=O)NCc3ccccn3)n2)cc1.
What is the InChIKey of 2-[3-(4-methylsulfanylphenyl)-6-oxopyridazin-1-yl]-N-(pyridin-2-ylmethyl)acetamide?
The InChIKey is JFBYRVGYSCHVHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2S/c1-26-16-7-5-14(6-8-16)17-9-10-19(25)23(22-17)13-18(24)21-12-15-4-2-3-11-20-15/h2-11H,12-13H2,1H3,(H,21,24).
What are the key properties of 2-[3-(4-methylsulfanylphenyl)-6-oxopyridazin-1-yl]-N-(pyridin-2-ylmethyl)acetamide?
2-[3-(4-methylsulfanylphenyl)-6-oxopyridazin-1-yl]-N-(pyridin-2-ylmethyl)acetamide has a molecular weight of 366.45 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-methylsulfanylphenyl)-6-oxopyridazin-1-yl]-N-(pyridin-2-ylmethyl)acetamide is sourced from PubChem (CID 52899767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).