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

C19H18N4O2S — CID 7207475

IUPACN-[(3-methoxyphenyl)methyl]-2-(6-pyridin-4-ylpyridazin-3-yl)sulfanylacetamide
SMILESCOc1cccc(CNC(=O)CSc2ccc(-c3ccncc3)nn2)c1
InChIInChI=1S/C19H18N4O2S/c1-25-16-4-2-3-14(11-16)12-21-18(24)13-26-19-6-5-17(22-23-19)15-7-9-20-10-8-15/h2-11H,12-13H2,1H3,(H,21,24)
InChIKeyUNCNWGNKIXAVGH-UHFFFAOYSA-N
MW366.45 g/mol
LogP2.96
Rot. Bonds7

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

N-[(3-methoxyphenyl)methyl]-2-(6-pyridin-4-ylpyridazin-3-yl)sulfanylacetamide (PubChem CID 7207475) has the molecular formula C19H18N4O2S and a molecular weight of 366.45 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-2-(6-pyridin-4-ylpyridazin-3-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methyl]-2-(6-pyridin-4-ylpyridazin-3-yl)sulfanylacetamide
PubChem CID7207475
Molecular FormulaC19H18N4O2S
Molecular Weight366.45 g/mol
Exact Mass366.12
IUPAC NameN-[(3-methoxyphenyl)methyl]-2-(6-pyridin-4-ylpyridazin-3-yl)sulfanylacetamide
SMILESCOc1cccc(CNC(=O)CSc2ccc(-c3ccncc3)nn2)c1
InChIInChI=1S/C19H18N4O2S/c1-25-16-4-2-3-14(11-16)12-21-18(24)13-26-19-6-5-17(22-23-19)15-7-9-20-10-8-15/h2-11H,12-13H2,1H3,(H,21,24)
InChIKeyUNCNWGNKIXAVGH-UHFFFAOYSA-N
XLogP2.96
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.45
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(3,4-Dimethoxyphenyl)-6-(pyridin-2-ylmethylsulfanyl)pyridazine
CID 3227972
N-[2-(4-methoxyphenyl)ethyl]-2-pyridin-2-ylsulfanylacetamide
CID 2646355
3-[(4-methoxyphenyl)sulfanyl]-N-(4-pyridinylmethyl)propanamide
CID 2812946
3-(3,4-Dimethoxyphenyl)-6-(pyridin-3-ylmethylsulfanyl)pyridazine
CID 3227970
N-[(3-methoxyphenyl)methyl]-2-(6-pyridin-2-ylpyridazin-3-yl)sulfanylacetamide
CID 7207470
N-(3-methoxybenzyl)-2-[(6-thien-2-ylpyridazin-3-yl)thio]acetamide
CID 16194270
3-(3-Methoxyphenyl)-6-((pyridin-2-ylmethyl)thio)pyridazine
CID 7162189
N-cyclohexyl-2-((6-(3-methoxyphenyl)pyridazin-3-yl)thio)acetamide
CID 7206214
N-(2-methoxybenzyl)-2-((6-(pyridin-2-yl)pyridazin-3-yl)thio)acetamide
CID 7207466
N-(2-methoxybenzyl)-2-((6-(pyridin-4-yl)pyridazin-3-yl)thio)acetamide
CID 7207467
N-(4-methoxyphenethyl)-2-((6-(pyridin-4-yl)pyridazin-3-yl)thio)acetamide
CID 7207478
N-(4-ethoxyphenyl)-2-(6-pyridin-3-ylpyridazin-3-yl)sulfanylacetamide
CID 7222457

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl]-2-(6-pyridin-4-ylpyridazin-3-yl)sulfanylacetamide?
The IUPAC name of N-[(3-methoxyphenyl)methyl]-2-(6-pyridin-4-ylpyridazin-3-yl)sulfanylacetamide (CID 7207475) is N-[(3-methoxyphenyl)methyl]-2-(6-pyridin-4-ylpyridazin-3-yl)sulfanylacetamide.
What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-2-(6-pyridin-4-ylpyridazin-3-yl)sulfanylacetamide?
The canonical SMILES for N-[(3-methoxyphenyl)methyl]-2-(6-pyridin-4-ylpyridazin-3-yl)sulfanylacetamide is COc1cccc(CNC(=O)CSc2ccc(-c3ccncc3)nn2)c1.
What is the InChIKey of N-[(3-methoxyphenyl)methyl]-2-(6-pyridin-4-ylpyridazin-3-yl)sulfanylacetamide?
The InChIKey is UNCNWGNKIXAVGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2S/c1-25-16-4-2-3-14(11-16)12-21-18(24)13-26-19-6-5-17(22-23-19)15-7-9-20-10-8-15/h2-11H,12-13H2,1H3,(H,21,24).
What are the key properties of N-[(3-methoxyphenyl)methyl]-2-(6-pyridin-4-ylpyridazin-3-yl)sulfanylacetamide?
N-[(3-methoxyphenyl)methyl]-2-(6-pyridin-4-ylpyridazin-3-yl)sulfanylacetamide has a molecular weight of 366.45 g/mol, XLogP of 2.96, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)methyl]-2-(6-pyridin-4-ylpyridazin-3-yl)sulfanylacetamide is sourced from PubChem (CID 7207475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).