2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide

C21H20N6O3 — CID 71828927

IUPAC2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide
SMILESCOc1ccc(-c2ccc(=O)n(CC(=O)N[C@@H](C)c3nnc4ccccn34)n2)cc1
InChIInChI=1S/C21H20N6O3/c1-14(21-24-23-18-5-3-4-12-26(18)21)22-19(28)13-27-20(29)11-10-17(25-27)15-6-8-16(30-2)9-7-15/h3-12,14H,13H2,1-2H3,(H,22,28)/t14-/m0/s1
InChIKeyAOCQIWKJJYEXLJ-AWEZNQCLSA-N
MW404.43 g/mol
LogP1.84
Rot. Bonds6

About 2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide

2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide (PubChem CID 71828927) has the molecular formula C21H20N6O3 and a molecular weight of 404.43 g/mol. Its IUPAC name is 2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide
PubChem CID71828927
Molecular FormulaC21H20N6O3
Molecular Weight404.43 g/mol
Exact Mass404.16
IUPAC Name2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide
SMILESCOc1ccc(-c2ccc(=O)n(CC(=O)N[C@@H](C)c3nnc4ccccn34)n2)cc1
InChIInChI=1S/C21H20N6O3/c1-14(21-24-23-18-5-3-4-12-26(18)21)22-19(28)13-27-20(29)11-10-17(25-27)15-6-8-16(30-2)9-7-15/h3-12,14H,13H2,1-2H3,(H,22,28)/t14-/m0/s1
InChIKeyAOCQIWKJJYEXLJ-AWEZNQCLSA-N
XLogP1.84
TPSA103.41 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.43
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-(4-methylphenoxy)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide
CID 51247774
2-naphthalen-2-yloxy-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide
CID 51247700
cyclooctane;2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-methylacetamide
CID 75366540
2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]acetamide
CID 121050358
2-amino-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide
CID 43703564
2-(6-oxo-3-phenylpyridazin-1-yl)-N-propan-2-ylacetamide
CID 5057313
1-[(1S)-1,2-bis(4-methoxyphenyl)ethyl]-3-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]urea
CID 52511547
1-[(1R)-1,2-bis(4-methoxyphenyl)ethyl]-3-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]urea
CID 52511549
methyl (2S)-2-[[2-(6-oxo-3-phenylpyridazin-1-yl)acetyl]amino]propanoate
CID 91901510
2-(4-hydroxyphenyl)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide
CID 78820554
2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide
CID 134030824
2-[3-(4-methoxyphenyl)-5-methylpyrazolidin-4-yl]-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide
CID 134081139

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide?
The IUPAC name of 2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide (CID 71828927) is 2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide.
What is the SMILES notation for 2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide?
The canonical SMILES for 2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide is COc1ccc(-c2ccc(=O)n(CC(=O)N[C@@H](C)c3nnc4ccccn34)n2)cc1.
What is the InChIKey of 2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide?
The InChIKey is AOCQIWKJJYEXLJ-AWEZNQCLSA-N. The full InChI is InChI=1S/C21H20N6O3/c1-14(21-24-23-18-5-3-4-12-26(18)21)22-19(28)13-27-20(29)11-10-17(25-27)15-6-8-16(30-2)9-7-15/h3-12,14H,13H2,1-2H3,(H,22,28)/t14-/m0/s1.
What are the key properties of 2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide?
2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide has a molecular weight of 404.43 g/mol, XLogP of 1.84, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide is sourced from PubChem (CID 71828927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).