3-[6-(ethylcarbamoyl)pyridazin-3-yl]oxypyridine-4-carboxylic acid

C13H12N4O4 — CID 81437555

IUPAC3-[6-(ethylcarbamoyl)pyridazin-3-yl]oxypyridine-4-carboxylic acid
SMILESCCNC(=O)c1ccc(Oc2cnccc2C(=O)O)nn1
InChIInChI=1S/C13H12N4O4/c1-2-15-12(18)9-3-4-11(17-16-9)21-10-7-14-6-5-8(10)13(19)20/h3-7H,2H2,1H3,(H,15,18)(H,19,20)
InChIKeyYRBCGNSBXOWVRL-UHFFFAOYSA-N
MW288.26 g/mol
LogP1.11
Rot. Bonds5

About 3-[6-(ethylcarbamoyl)pyridazin-3-yl]oxypyridine-4-carboxylic acid

3-[6-(ethylcarbamoyl)pyridazin-3-yl]oxypyridine-4-carboxylic acid (PubChem CID 81437555) has the molecular formula C13H12N4O4 and a molecular weight of 288.26 g/mol. Its IUPAC name is 3-[6-(ethylcarbamoyl)pyridazin-3-yl]oxypyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-[6-(ethylcarbamoyl)pyridazin-3-yl]oxypyridine-4-carboxylic acid
PubChem CID81437555
Molecular FormulaC13H12N4O4
Molecular Weight288.26 g/mol
Exact Mass288.09
IUPAC Name3-[6-(ethylcarbamoyl)pyridazin-3-yl]oxypyridine-4-carboxylic acid
SMILESCCNC(=O)c1ccc(Oc2cnccc2C(=O)O)nn1
InChIInChI=1S/C13H12N4O4/c1-2-15-12(18)9-3-4-11(17-16-9)21-10-7-14-6-5-8(10)13(19)20/h3-7H,2H2,1H3,(H,15,18)(H,19,20)
InChIKeyYRBCGNSBXOWVRL-UHFFFAOYSA-N
XLogP1.11
TPSA114.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.26
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[[2-(ethylcarbamoyl)-4-pyridinyl]oxy]pyridine-4-carboxylic acid
CID 81436631
3-(6-methylpyridazin-3-yl)oxypyridine-4-carboxylic acid
CID 81443389
N-ethyl-6-methoxypyridazine-3-carboxamide
CID 90509402
3-N,4-N-diethylpyridine-3,4-dicarboxamide
CID 14527703
6-(2-amino-4-bromo-5-fluorophenoxy)-N-ethylpyridazine-3-carboxamide
CID 103483857
3-(4-methoxybutoxy)pyridine-4-carboxylic acid
CID 104646814
3-[(5-methyl-1,3,4-thiadiazol-2-yl)oxy]pyridine-4-carboxylic acid
CID 81442469
3-(4-butan-2-ylphenoxy)pyridine-4-carboxylic acid
CID 104629426
3-(3-fluoropropoxy)pyridine-4-carboxylic acid
CID 81446128
3-(6-chloropyrazin-2-yl)oxypyridine-4-carboxylic acid
CID 114335580
3-(3-ethoxypropoxy)pyridine-4-carboxylic acid
CID 81446404
3-(1-amino-1-oxobutan-2-yl)oxypyridine-4-carboxylic acid
CID 81446130

Frequently Asked Questions

What is the IUPAC name of 3-[6-(ethylcarbamoyl)pyridazin-3-yl]oxypyridine-4-carboxylic acid?
The IUPAC name of 3-[6-(ethylcarbamoyl)pyridazin-3-yl]oxypyridine-4-carboxylic acid (CID 81437555) is 3-[6-(ethylcarbamoyl)pyridazin-3-yl]oxypyridine-4-carboxylic acid.
What is the SMILES notation for 3-[6-(ethylcarbamoyl)pyridazin-3-yl]oxypyridine-4-carboxylic acid?
The canonical SMILES for 3-[6-(ethylcarbamoyl)pyridazin-3-yl]oxypyridine-4-carboxylic acid is CCNC(=O)c1ccc(Oc2cnccc2C(=O)O)nn1.
What is the InChIKey of 3-[6-(ethylcarbamoyl)pyridazin-3-yl]oxypyridine-4-carboxylic acid?
The InChIKey is YRBCGNSBXOWVRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O4/c1-2-15-12(18)9-3-4-11(17-16-9)21-10-7-14-6-5-8(10)13(19)20/h3-7H,2H2,1H3,(H,15,18)(H,19,20).
What are the key properties of 3-[6-(ethylcarbamoyl)pyridazin-3-yl]oxypyridine-4-carboxylic acid?
3-[6-(ethylcarbamoyl)pyridazin-3-yl]oxypyridine-4-carboxylic acid has a molecular weight of 288.26 g/mol, XLogP of 1.11, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(ethylcarbamoyl)pyridazin-3-yl]oxypyridine-4-carboxylic acid is sourced from PubChem (CID 81437555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).