5-[[4-(6-methylpyridazin-3-yl)oxyphenyl]carbamoyl]furan-3-carboxylic acid

C17H13N3O5 — CID 138043271

IUPAC5-[[4-(6-methylpyridazin-3-yl)oxyphenyl]carbamoyl]furan-3-carboxylic acid
SMILESCc1ccc(Oc2ccc(NC(=O)c3cc(C(=O)O)co3)cc2)nn1
InChIInChI=1S/C17H13N3O5/c1-10-2-7-15(20-19-10)25-13-5-3-12(4-6-13)18-16(21)14-8-11(9-24-14)17(22)23/h2-9H,1H3,(H,18,21)(H,22,23)
InChIKeyYQMOCRSXLIKVIQ-UHFFFAOYSA-N
MW339.31 g/mol
LogP3.12
Rot. Bonds5

About 5-[[4-(6-methylpyridazin-3-yl)oxyphenyl]carbamoyl]furan-3-carboxylic acid

5-[[4-(6-methylpyridazin-3-yl)oxyphenyl]carbamoyl]furan-3-carboxylic acid (PubChem CID 138043271) has the molecular formula C17H13N3O5 and a molecular weight of 339.31 g/mol. Its IUPAC name is 5-[[4-(6-methylpyridazin-3-yl)oxyphenyl]carbamoyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name5-[[4-(6-methylpyridazin-3-yl)oxyphenyl]carbamoyl]furan-3-carboxylic acid
PubChem CID138043271
Molecular FormulaC17H13N3O5
Molecular Weight339.31 g/mol
Exact Mass339.09
IUPAC Name5-[[4-(6-methylpyridazin-3-yl)oxyphenyl]carbamoyl]furan-3-carboxylic acid
SMILESCc1ccc(Oc2ccc(NC(=O)c3cc(C(=O)O)co3)cc2)nn1
InChIInChI=1S/C17H13N3O5/c1-10-2-7-15(20-19-10)25-13-5-3-12(4-6-13)18-16(21)14-8-11(9-24-14)17(22)23/h2-9H,1H3,(H,18,21)(H,22,23)
InChIKeyYQMOCRSXLIKVIQ-UHFFFAOYSA-N
XLogP3.12
TPSA114.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.31
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-[[4-(6-methylpyridazin-3-yl)oxyphenyl]carbamoyl]furan-3-carboxylic acid with MolForge

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Related Compounds

N-[4-(6-methylpyridazin-3-yl)oxyphenyl]naphthalene-2-carboxamide
CID 70703281
1-(4-ethylphenyl)-3-[4-(6-methylpyridazin-3-yl)oxyphenyl]urea
CID 56920163
5-[(3,4-dimethylphenyl)carbamoyl]furan-3-carboxylic acid
CID 104607082
5-[(4-fluorophenyl)carbamoyl]furan-3-carboxylic acid
CID 104607090
1-(4-bromophenyl)-3-[4-(6-methylpyridazin-3-yl)oxyphenyl]urea
CID 56920749
3-(6-methylpyridazin-3-yl)oxybenzoic acid
CID 61395653
N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-1,2-oxazole-5-carboxamide
CID 122305535
N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]furan-2-carboxamide
CID 122305413
4-(6-methylpyridazin-3-yl)oxybenzamide
CID 175939264
2-methyl-4-(6-methylpyridazin-3-yl)oxybenzoic acid
CID 107672708
6-(4-acetamidophenoxy)-N-phenylpyridazine-3-carboxamide
CID 133313253
5-[(4-chloro-3-methoxyphenyl)carbamoyl]furan-3-carboxylic acid
CID 107622770

Frequently Asked Questions

What is the IUPAC name of 5-[[4-(6-methylpyridazin-3-yl)oxyphenyl]carbamoyl]furan-3-carboxylic acid?
The IUPAC name of 5-[[4-(6-methylpyridazin-3-yl)oxyphenyl]carbamoyl]furan-3-carboxylic acid (CID 138043271) is 5-[[4-(6-methylpyridazin-3-yl)oxyphenyl]carbamoyl]furan-3-carboxylic acid.
What is the SMILES notation for 5-[[4-(6-methylpyridazin-3-yl)oxyphenyl]carbamoyl]furan-3-carboxylic acid?
The canonical SMILES for 5-[[4-(6-methylpyridazin-3-yl)oxyphenyl]carbamoyl]furan-3-carboxylic acid is Cc1ccc(Oc2ccc(NC(=O)c3cc(C(=O)O)co3)cc2)nn1.
What is the InChIKey of 5-[[4-(6-methylpyridazin-3-yl)oxyphenyl]carbamoyl]furan-3-carboxylic acid?
The InChIKey is YQMOCRSXLIKVIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O5/c1-10-2-7-15(20-19-10)25-13-5-3-12(4-6-13)18-16(21)14-8-11(9-24-14)17(22)23/h2-9H,1H3,(H,18,21)(H,22,23).
What are the key properties of 5-[[4-(6-methylpyridazin-3-yl)oxyphenyl]carbamoyl]furan-3-carboxylic acid?
5-[[4-(6-methylpyridazin-3-yl)oxyphenyl]carbamoyl]furan-3-carboxylic acid has a molecular weight of 339.31 g/mol, XLogP of 3.12, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(6-methylpyridazin-3-yl)oxyphenyl]carbamoyl]furan-3-carboxylic acid is sourced from PubChem (CID 138043271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).