2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(6-methyl-2-pyridinyl)acetamide

C19H18N4O3 — CID 51043438

IUPAC2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(6-methyl-2-pyridinyl)acetamide
SMILESCOc1ccc(-c2ccc(=O)n(CC(=O)Nc3cccc(C)n3)n2)cc1
InChIInChI=1S/C19H18N4O3/c1-13-4-3-5-17(20-13)21-18(24)12-23-19(25)11-10-16(22-23)14-6-8-15(26-2)9-7-14/h3-11H,12H2,1-2H3,(H,20,21,24)
InChIKeyZTHYDBMBBVFIPH-UHFFFAOYSA-N
MW350.38 g/mol
LogP2.26
Rot. Bonds5

About 2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(6-methyl-2-pyridinyl)acetamide

2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(6-methyl-2-pyridinyl)acetamide (PubChem CID 51043438) has the molecular formula C19H18N4O3 and a molecular weight of 350.38 g/mol. Its IUPAC name is 2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(6-methyl-2-pyridinyl)acetamide.

Molecular Properties

Compound Name2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(6-methyl-2-pyridinyl)acetamide
PubChem CID51043438
Molecular FormulaC19H18N4O3
Molecular Weight350.38 g/mol
Exact Mass350.14
IUPAC Name2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(6-methyl-2-pyridinyl)acetamide
SMILESCOc1ccc(-c2ccc(=O)n(CC(=O)Nc3cccc(C)n3)n2)cc1
InChIInChI=1S/C19H18N4O3/c1-13-4-3-5-17(20-13)21-18(24)12-23-19(25)11-10-16(22-23)14-6-8-15(26-2)9-7-14/h3-11H,12H2,1-2H3,(H,20,21,24)
InChIKeyZTHYDBMBBVFIPH-UHFFFAOYSA-N
XLogP2.26
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(6-methyl-2-pyridinyl)acetamide?
The IUPAC name of 2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(6-methyl-2-pyridinyl)acetamide (CID 51043438) is 2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(6-methyl-2-pyridinyl)acetamide.
What is the SMILES notation for 2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(6-methyl-2-pyridinyl)acetamide?
The canonical SMILES for 2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(6-methyl-2-pyridinyl)acetamide is COc1ccc(-c2ccc(=O)n(CC(=O)Nc3cccc(C)n3)n2)cc1.
What is the InChIKey of 2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(6-methyl-2-pyridinyl)acetamide?
The InChIKey is ZTHYDBMBBVFIPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O3/c1-13-4-3-5-17(20-13)21-18(24)12-23-19(25)11-10-16(22-23)14-6-8-15(26-2)9-7-14/h3-11H,12H2,1-2H3,(H,20,21,24).
What are the key properties of 2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(6-methyl-2-pyridinyl)acetamide?
2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(6-methyl-2-pyridinyl)acetamide has a molecular weight of 350.38 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(6-methyl-2-pyridinyl)acetamide is sourced from PubChem (CID 51043438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).