N-(6-methyl-2-pyridinyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide

C16H14N4O2S — CID 51053457

IUPACN-(6-methyl-2-pyridinyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide
SMILESCc1cccc(NC(=O)Cn2nc(-c3cccs3)ccc2=O)n1
InChIInChI=1S/C16H14N4O2S/c1-11-4-2-6-14(17-11)18-15(21)10-20-16(22)8-7-12(19-20)13-5-3-9-23-13/h2-9H,10H2,1H3,(H,17,18,21)
InChIKeyJETLDWGTEZYVGG-UHFFFAOYSA-N
MW326.38 g/mol
LogP2.31
Rot. Bonds4

About N-(6-methyl-2-pyridinyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide

N-(6-methyl-2-pyridinyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide (PubChem CID 51053457) has the molecular formula C16H14N4O2S and a molecular weight of 326.38 g/mol. Its IUPAC name is N-(6-methyl-2-pyridinyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(6-methyl-2-pyridinyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide
PubChem CID51053457
Molecular FormulaC16H14N4O2S
Molecular Weight326.38 g/mol
Exact Mass326.08
IUPAC NameN-(6-methyl-2-pyridinyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide
SMILESCc1cccc(NC(=O)Cn2nc(-c3cccs3)ccc2=O)n1
InChIInChI=1S/C16H14N4O2S/c1-11-4-2-6-14(17-11)18-15(21)10-20-16(22)8-7-12(19-20)13-5-3-9-23-13/h2-9H,10H2,1H3,(H,17,18,21)
InChIKeyJETLDWGTEZYVGG-UHFFFAOYSA-N
XLogP2.31
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.38
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(6-methyl-2-pyridinyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide?
The IUPAC name of N-(6-methyl-2-pyridinyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide (CID 51053457) is N-(6-methyl-2-pyridinyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide.
What is the SMILES notation for N-(6-methyl-2-pyridinyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide?
The canonical SMILES for N-(6-methyl-2-pyridinyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide is Cc1cccc(NC(=O)Cn2nc(-c3cccs3)ccc2=O)n1.
What is the InChIKey of N-(6-methyl-2-pyridinyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide?
The InChIKey is JETLDWGTEZYVGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O2S/c1-11-4-2-6-14(17-11)18-15(21)10-20-16(22)8-7-12(19-20)13-5-3-9-23-13/h2-9H,10H2,1H3,(H,17,18,21).
What are the key properties of N-(6-methyl-2-pyridinyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide?
N-(6-methyl-2-pyridinyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide has a molecular weight of 326.38 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methyl-2-pyridinyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide is sourced from PubChem (CID 51053457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).