N-(2,4-dioxo-1H-pyrimidin-5-yl)-2-[6-(4-methoxyphenyl)pyridazin-3-yl]sulfanylacetamide

C17H15N5O4S — CID 43817501

IUPACN-(2,4-dioxo-1H-pyrimidin-5-yl)-2-[6-(4-methoxyphenyl)pyridazin-3-yl]sulfanylacetamide
SMILESCOc1ccc(-c2ccc(SCC(=O)Nc3c[nH]c(=O)[nH]c3=O)nn2)cc1
InChIInChI=1S/C17H15N5O4S/c1-26-11-4-2-10(3-5-11)12-6-7-15(22-21-12)27-9-14(23)19-13-8-18-17(25)20-16(13)24/h2-8H,9H2,1H3,(H,19,23)(H2,18,20,24,25)
InChIKeyXYRZUXASTOHXMW-UHFFFAOYSA-N
MW385.41 g/mol
LogP1.26
Rot. Bonds6

About N-(2,4-dioxo-1H-pyrimidin-5-yl)-2-[6-(4-methoxyphenyl)pyridazin-3-yl]sulfanylacetamide

N-(2,4-dioxo-1H-pyrimidin-5-yl)-2-[6-(4-methoxyphenyl)pyridazin-3-yl]sulfanylacetamide (PubChem CID 43817501) has the molecular formula C17H15N5O4S and a molecular weight of 385.41 g/mol. Its IUPAC name is N-(2,4-dioxo-1H-pyrimidin-5-yl)-2-[6-(4-methoxyphenyl)pyridazin-3-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(2,4-dioxo-1H-pyrimidin-5-yl)-2-[6-(4-methoxyphenyl)pyridazin-3-yl]sulfanylacetamide
PubChem CID43817501
Molecular FormulaC17H15N5O4S
Molecular Weight385.41 g/mol
Exact Mass385.08
IUPAC NameN-(2,4-dioxo-1H-pyrimidin-5-yl)-2-[6-(4-methoxyphenyl)pyridazin-3-yl]sulfanylacetamide
SMILESCOc1ccc(-c2ccc(SCC(=O)Nc3c[nH]c(=O)[nH]c3=O)nn2)cc1
InChIInChI=1S/C17H15N5O4S/c1-26-11-4-2-10(3-5-11)12-6-7-15(22-21-12)27-9-14(23)19-13-8-18-17(25)20-16(13)24/h2-8H,9H2,1H3,(H,19,23)(H2,18,20,24,25)
InChIKeyXYRZUXASTOHXMW-UHFFFAOYSA-N
XLogP1.26
TPSA129.83 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.41
LogP ≤ 51.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-chlorophenyl)-2-[6-(4-methoxyphenyl)pyridazin-3-yl]sulfanylacetamide
CID 8699217
N-(2,4-dimethylphenyl)-2-[6-(4-methoxyphenyl)pyridazin-3-yl]sulfanylacetamide
CID 40693481
N-(furan-2-yl)-2-[6-(4-methoxyphenyl)pyridazin-3-yl]sulfanylacetamide
CID 43936655
2-[6-(4-methoxyphenyl)pyridazin-3-yl]sulfanylacetamide
CID 3227985
N-(2-bromo-4-sulfamoylphenyl)-2-[6-(4-methoxyphenyl)pyridazin-3-yl]sulfanylacetamide
CID 172991960
2-[6-(3-methoxyphenyl)pyridazin-3-yl]sulfanyl-N-(2-methylphenyl)acetamide
CID 7502849
N-(3-methoxyphenyl)-2-[6-(4-methylphenyl)pyridazin-3-yl]sulfanylacetamide
CID 7502738
N-(2-fluorophenyl)-2-[6-(3-methoxyphenyl)pyridazin-3-yl]sulfanylacetamide
CID 7502862
1-(4-fluorophenyl)-2-[6-(4-methoxyphenyl)pyridazin-3-yl]sulfanylethanone
CID 7205889
N-(2-ethoxyphenyl)-2-[6-(4-ethoxyphenyl)pyridazin-3-yl]sulfanylacetamide
CID 8542081
N-(2,4-difluorophenyl)-2-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]sulfanylacetamide
CID 18562224
N-(2-methoxy-5-methylphenyl)-2-[6-(4-phenylphenyl)pyridazin-3-yl]sulfanylacetamide
CID 43936641

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dioxo-1H-pyrimidin-5-yl)-2-[6-(4-methoxyphenyl)pyridazin-3-yl]sulfanylacetamide?
The IUPAC name of N-(2,4-dioxo-1H-pyrimidin-5-yl)-2-[6-(4-methoxyphenyl)pyridazin-3-yl]sulfanylacetamide (CID 43817501) is N-(2,4-dioxo-1H-pyrimidin-5-yl)-2-[6-(4-methoxyphenyl)pyridazin-3-yl]sulfanylacetamide.
What is the SMILES notation for N-(2,4-dioxo-1H-pyrimidin-5-yl)-2-[6-(4-methoxyphenyl)pyridazin-3-yl]sulfanylacetamide?
The canonical SMILES for N-(2,4-dioxo-1H-pyrimidin-5-yl)-2-[6-(4-methoxyphenyl)pyridazin-3-yl]sulfanylacetamide is COc1ccc(-c2ccc(SCC(=O)Nc3c[nH]c(=O)[nH]c3=O)nn2)cc1.
What is the InChIKey of N-(2,4-dioxo-1H-pyrimidin-5-yl)-2-[6-(4-methoxyphenyl)pyridazin-3-yl]sulfanylacetamide?
The InChIKey is XYRZUXASTOHXMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O4S/c1-26-11-4-2-10(3-5-11)12-6-7-15(22-21-12)27-9-14(23)19-13-8-18-17(25)20-16(13)24/h2-8H,9H2,1H3,(H,19,23)(H2,18,20,24,25).
What are the key properties of N-(2,4-dioxo-1H-pyrimidin-5-yl)-2-[6-(4-methoxyphenyl)pyridazin-3-yl]sulfanylacetamide?
N-(2,4-dioxo-1H-pyrimidin-5-yl)-2-[6-(4-methoxyphenyl)pyridazin-3-yl]sulfanylacetamide has a molecular weight of 385.41 g/mol, XLogP of 1.26, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dioxo-1H-pyrimidin-5-yl)-2-[6-(4-methoxyphenyl)pyridazin-3-yl]sulfanylacetamide is sourced from PubChem (CID 43817501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).