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

C13H18N4O4 — CID 115292167

IUPAC4-[[6-(ethylcarbamoyl)pyridazin-3-yl]amino]oxane-4-carboxylic acid
SMILESCCNC(=O)c1ccc(NC2(C(=O)O)CCOCC2)nn1
InChIInChI=1S/C13H18N4O4/c1-2-14-11(18)9-3-4-10(17-16-9)15-13(12(19)20)5-7-21-8-6-13/h3-4H,2,5-8H2,1H3,(H,14,18)(H,15,17)(H,19,20)
InChIKeyPIQUYQWZIFXAQA-UHFFFAOYSA-N
MW294.31 g/mol
LogP0.27
Rot. Bonds5

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

4-[[6-(ethylcarbamoyl)pyridazin-3-yl]amino]oxane-4-carboxylic acid (PubChem CID 115292167) has the molecular formula C13H18N4O4 and a molecular weight of 294.31 g/mol. Its IUPAC name is 4-[[6-(ethylcarbamoyl)pyridazin-3-yl]amino]oxane-4-carboxylic acid.

Molecular Properties

Compound Name4-[[6-(ethylcarbamoyl)pyridazin-3-yl]amino]oxane-4-carboxylic acid
PubChem CID115292167
Molecular FormulaC13H18N4O4
Molecular Weight294.31 g/mol
Exact Mass294.13
IUPAC Name4-[[6-(ethylcarbamoyl)pyridazin-3-yl]amino]oxane-4-carboxylic acid
SMILESCCNC(=O)c1ccc(NC2(C(=O)O)CCOCC2)nn1
InChIInChI=1S/C13H18N4O4/c1-2-14-11(18)9-3-4-10(17-16-9)15-13(12(19)20)5-7-21-8-6-13/h3-4H,2,5-8H2,1H3,(H,14,18)(H,15,17)(H,19,20)
InChIKeyPIQUYQWZIFXAQA-UHFFFAOYSA-N
XLogP0.27
TPSA113.44 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 50.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-ethyl-6-[(1-propylcyclopropyl)methylamino]pyridazine-3-carboxamide
CID 103761722
N-ethyl-6-[(1-ethylcyclopentyl)methylamino]pyridazine-3-carboxamide
CID 103764956
2-ethyl-2-[[[6-(ethylcarbamoyl)pyridazin-3-yl]amino]methyl]butanoic acid
CID 115430062
4-[(6-chloropyridazine-3-carbonyl)amino]oxane-4-carboxylic acid
CID 114037097
N-ethyl-6-(morpholin-3-ylmethylamino)pyridazine-3-carboxamide
CID 103549300
6-[(4-methoxyoxan-4-yl)methylamino]-N-methylpyridazine-3-carboxamide
CID 133400022
N-ethyl-6-[(4-ethylphenyl)methylamino]pyridazine-3-carboxamide
CID 106898486
6-(ethylamino)-N-[2-(ethylamino)-2-oxoethyl]pyridazine-3-carboxamide
CID 55047399
4-(2-ethylanilino)oxane-4-carboxylic acid
CID 114992560
N-phenyl-6-[(4-phenyloxan-4-yl)methylamino]pyridazine-3-carboxamide
CID 133313852
N-propyl-6-(propylamino)pyridazine-3-carboxamide
CID 62172507
6-(ethylamino)-N-(oxan-2-ylmethyl)pyridazine-3-carboxamide
CID 62181516

Frequently Asked Questions

What is the IUPAC name of 4-[[6-(ethylcarbamoyl)pyridazin-3-yl]amino]oxane-4-carboxylic acid?
The IUPAC name of 4-[[6-(ethylcarbamoyl)pyridazin-3-yl]amino]oxane-4-carboxylic acid (CID 115292167) is 4-[[6-(ethylcarbamoyl)pyridazin-3-yl]amino]oxane-4-carboxylic acid.
What is the SMILES notation for 4-[[6-(ethylcarbamoyl)pyridazin-3-yl]amino]oxane-4-carboxylic acid?
The canonical SMILES for 4-[[6-(ethylcarbamoyl)pyridazin-3-yl]amino]oxane-4-carboxylic acid is CCNC(=O)c1ccc(NC2(C(=O)O)CCOCC2)nn1.
What is the InChIKey of 4-[[6-(ethylcarbamoyl)pyridazin-3-yl]amino]oxane-4-carboxylic acid?
The InChIKey is PIQUYQWZIFXAQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O4/c1-2-14-11(18)9-3-4-10(17-16-9)15-13(12(19)20)5-7-21-8-6-13/h3-4H,2,5-8H2,1H3,(H,14,18)(H,15,17)(H,19,20).
What are the key properties of 4-[[6-(ethylcarbamoyl)pyridazin-3-yl]amino]oxane-4-carboxylic acid?
4-[[6-(ethylcarbamoyl)pyridazin-3-yl]amino]oxane-4-carboxylic acid has a molecular weight of 294.31 g/mol, XLogP of 0.27, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-(ethylcarbamoyl)pyridazin-3-yl]amino]oxane-4-carboxylic acid is sourced from PubChem (CID 115292167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).