2-(2-amino-2-oxoethyl)-6-(3-methoxyphenyl)-3-oxopyridazine-4-carboxylic acid

C14H13N3O5 — CID 100785224

IUPAC2-(2-amino-2-oxoethyl)-6-(3-methoxyphenyl)-3-oxopyridazine-4-carboxylic acid
SMILESCOc1cccc(-c2cc(C(=O)O)c(=O)n(CC(N)=O)n2)c1
InChIInChI=1S/C14H13N3O5/c1-22-9-4-2-3-8(5-9)11-6-10(14(20)21)13(19)17(16-11)7-12(15)18/h2-6H,7H2,1H3,(H2,15,18)(H,20,21)
InChIKeyQUGMIHUDHSSIDZ-UHFFFAOYSA-N
MW303.27 g/mol
LogP0.10
Rot. Bonds5

About 2-(2-amino-2-oxoethyl)-6-(3-methoxyphenyl)-3-oxopyridazine-4-carboxylic acid

2-(2-amino-2-oxoethyl)-6-(3-methoxyphenyl)-3-oxopyridazine-4-carboxylic acid (PubChem CID 100785224) has the molecular formula C14H13N3O5 and a molecular weight of 303.27 g/mol. Its IUPAC name is 2-(2-amino-2-oxoethyl)-6-(3-methoxyphenyl)-3-oxopyridazine-4-carboxylic acid.

Molecular Properties

Compound Name2-(2-amino-2-oxoethyl)-6-(3-methoxyphenyl)-3-oxopyridazine-4-carboxylic acid
PubChem CID100785224
Molecular FormulaC14H13N3O5
Molecular Weight303.27 g/mol
Exact Mass303.09
IUPAC Name2-(2-amino-2-oxoethyl)-6-(3-methoxyphenyl)-3-oxopyridazine-4-carboxylic acid
SMILESCOc1cccc(-c2cc(C(=O)O)c(=O)n(CC(N)=O)n2)c1
InChIInChI=1S/C14H13N3O5/c1-22-9-4-2-3-8(5-9)11-6-10(14(20)21)13(19)17(16-11)7-12(15)18/h2-6H,7H2,1H3,(H2,15,18)(H,20,21)
InChIKeyQUGMIHUDHSSIDZ-UHFFFAOYSA-N
XLogP0.10
TPSA124.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.27
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(carboxymethyl)-3-oxo-6-phenylpyridazine-4-carboxylic acid
CID 10061871
ethyl 2-(2-amino-2-oxoethyl)-6-(3-bromophenyl)-3-oxopyridazine-4-carboxylate
CID 100785538
2-(3,3-dimethyl-2-oxobutyl)-6-(3-methoxyphenyl)pyridazin-3-one
CID 51044276
ethyl 4-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]-3-oxobutanoate
CID 7664984
4-(hydroxymethyl)-6-(3-methoxyphenyl)-2-propylpyridazin-3-one
CID 82446808
2-(cyanomethyl)-6-(4-methoxyphenyl)-3-oxopyridazine-4-carboxylic acid
CID 100785199
N-(3-methoxyphenyl)-2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide
CID 7665039
2-methyl-3-oxo-6-(3-propan-2-yloxyphenyl)pyridazine-4-carboxylic acid
CID 82444253
ethyl 2-(2-amino-2-oxoethyl)-6-(3,4-dimethylphenyl)-3-oxopyridazine-4-carboxylate
CID 100785607
3-[6-(3-methoxyphenyl)-2-methyl-3-oxopyridazin-4-yl]propanoic acid
CID 82444203
3-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(1-phenylethyl)propanamide
CID 51366015
2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]propanoic acid
CID 139389914

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-2-oxoethyl)-6-(3-methoxyphenyl)-3-oxopyridazine-4-carboxylic acid?
The IUPAC name of 2-(2-amino-2-oxoethyl)-6-(3-methoxyphenyl)-3-oxopyridazine-4-carboxylic acid (CID 100785224) is 2-(2-amino-2-oxoethyl)-6-(3-methoxyphenyl)-3-oxopyridazine-4-carboxylic acid.
What is the SMILES notation for 2-(2-amino-2-oxoethyl)-6-(3-methoxyphenyl)-3-oxopyridazine-4-carboxylic acid?
The canonical SMILES for 2-(2-amino-2-oxoethyl)-6-(3-methoxyphenyl)-3-oxopyridazine-4-carboxylic acid is COc1cccc(-c2cc(C(=O)O)c(=O)n(CC(N)=O)n2)c1.
What is the InChIKey of 2-(2-amino-2-oxoethyl)-6-(3-methoxyphenyl)-3-oxopyridazine-4-carboxylic acid?
The InChIKey is QUGMIHUDHSSIDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O5/c1-22-9-4-2-3-8(5-9)11-6-10(14(20)21)13(19)17(16-11)7-12(15)18/h2-6H,7H2,1H3,(H2,15,18)(H,20,21).
What are the key properties of 2-(2-amino-2-oxoethyl)-6-(3-methoxyphenyl)-3-oxopyridazine-4-carboxylic acid?
2-(2-amino-2-oxoethyl)-6-(3-methoxyphenyl)-3-oxopyridazine-4-carboxylic acid has a molecular weight of 303.27 g/mol, XLogP of 0.10, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-2-oxoethyl)-6-(3-methoxyphenyl)-3-oxopyridazine-4-carboxylic acid is sourced from PubChem (CID 100785224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).