6-ethoxy-N-(2-oxochromen-3-yl)pyridazine-3-carboxamide

C16H13N3O4 — CID 90509622

IUPAC6-ethoxy-N-(2-oxochromen-3-yl)pyridazine-3-carboxamide
SMILESCCOc1ccc(C(=O)Nc2cc3ccccc3oc2=O)nn1
InChIInChI=1S/C16H13N3O4/c1-2-22-14-8-7-11(18-19-14)15(20)17-12-9-10-5-3-4-6-13(10)23-16(12)21/h3-9H,2H2,1H3,(H,17,20)
InChIKeyVOOZCDIRKQYCHI-UHFFFAOYSA-N
MW311.30 g/mol
LogP2.23
Rot. Bonds4

About 6-ethoxy-N-(2-oxochromen-3-yl)pyridazine-3-carboxamide

6-ethoxy-N-(2-oxochromen-3-yl)pyridazine-3-carboxamide (PubChem CID 90509622) has the molecular formula C16H13N3O4 and a molecular weight of 311.30 g/mol. Its IUPAC name is 6-ethoxy-N-(2-oxochromen-3-yl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-ethoxy-N-(2-oxochromen-3-yl)pyridazine-3-carboxamide
PubChem CID90509622
Molecular FormulaC16H13N3O4
Molecular Weight311.30 g/mol
Exact Mass311.09
IUPAC Name6-ethoxy-N-(2-oxochromen-3-yl)pyridazine-3-carboxamide
SMILESCCOc1ccc(C(=O)Nc2cc3ccccc3oc2=O)nn1
InChIInChI=1S/C16H13N3O4/c1-2-22-14-8-7-11(18-19-14)15(20)17-12-9-10-5-3-4-6-13(10)23-16(12)21/h3-9H,2H2,1H3,(H,17,20)
InChIKeyVOOZCDIRKQYCHI-UHFFFAOYSA-N
XLogP2.23
TPSA94.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.30
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

6-ethoxy-N-(2-methylsulfanylphenyl)pyridazine-3-carboxamide
CID 90509597
N-(2-oxochromen-3-yl)-6-(1,2,4-triazol-1-yl)pyridazine-3-carboxamide
CID 71805133
N-(3,5-dimethylphenyl)-6-ethoxypyridazine-3-carboxamide
CID 90509536
N-(2-amino-2-oxoethyl)-6-ethoxypyridazine-3-carboxamide
CID 90509671
N-[4-(diethylamino)-2-methylphenyl]-6-ethoxypyridazine-3-carboxamide
CID 90509599
N-(3,4-difluorophenyl)-6-ethoxypyridazine-3-carboxamide
CID 90509652
2,3-dichloro-N-(2-oxochromen-3-yl)benzamide
CID 4025638
2-[(2-oxochromen-3-yl)amino]oxyacetic acid
CID 88789261
N-(2-oxochromen-3-yl)prop-2-enamide
CID 91937746
6-ethoxy-N-(4-methyl-1,3-benzothiazol-2-yl)pyridazine-3-carboxamide
CID 90509660
3-[2-(4-ethoxyphenyl)-2-oxoethyl]chromen-2-one
CID 4087917
N-(2-chlorophenyl)-7-ethoxy-2-oxochromene-3-carboxamide
CID 5262992

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-N-(2-oxochromen-3-yl)pyridazine-3-carboxamide?
The IUPAC name of 6-ethoxy-N-(2-oxochromen-3-yl)pyridazine-3-carboxamide (CID 90509622) is 6-ethoxy-N-(2-oxochromen-3-yl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-ethoxy-N-(2-oxochromen-3-yl)pyridazine-3-carboxamide?
The canonical SMILES for 6-ethoxy-N-(2-oxochromen-3-yl)pyridazine-3-carboxamide is CCOc1ccc(C(=O)Nc2cc3ccccc3oc2=O)nn1.
What is the InChIKey of 6-ethoxy-N-(2-oxochromen-3-yl)pyridazine-3-carboxamide?
The InChIKey is VOOZCDIRKQYCHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O4/c1-2-22-14-8-7-11(18-19-14)15(20)17-12-9-10-5-3-4-6-13(10)23-16(12)21/h3-9H,2H2,1H3,(H,17,20).
What are the key properties of 6-ethoxy-N-(2-oxochromen-3-yl)pyridazine-3-carboxamide?
6-ethoxy-N-(2-oxochromen-3-yl)pyridazine-3-carboxamide has a molecular weight of 311.30 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-N-(2-oxochromen-3-yl)pyridazine-3-carboxamide is sourced from PubChem (CID 90509622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).