6-oxo-1-(2-phenoxyethyl)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)pyridazine-3-carboxamide

C21H21N3O3S — CID 24548186

IUPAC6-oxo-1-(2-phenoxyethyl)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)pyridazine-3-carboxamide
SMILESC=CCN(Cc1cccs1)C(=O)c1ccc(=O)n(CCOc2ccccc2)n1
InChIInChI=1S/C21H21N3O3S/c1-2-12-23(16-18-9-6-15-28-18)21(26)19-10-11-20(25)24(22-19)13-14-27-17-7-4-3-5-8-17/h2-11,15H,1,12-14,16H2
InChIKeyNVTUAVVEQSYNMI-UHFFFAOYSA-N
MW395.48 g/mol
LogP3.21
Rot. Bonds9

About 6-oxo-1-(2-phenoxyethyl)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)pyridazine-3-carboxamide

6-oxo-1-(2-phenoxyethyl)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)pyridazine-3-carboxamide (PubChem CID 24548186) has the molecular formula C21H21N3O3S and a molecular weight of 395.48 g/mol. Its IUPAC name is 6-oxo-1-(2-phenoxyethyl)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-oxo-1-(2-phenoxyethyl)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)pyridazine-3-carboxamide
PubChem CID24548186
Molecular FormulaC21H21N3O3S
Molecular Weight395.48 g/mol
Exact Mass395.13
IUPAC Name6-oxo-1-(2-phenoxyethyl)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)pyridazine-3-carboxamide
SMILESC=CCN(Cc1cccs1)C(=O)c1ccc(=O)n(CCOc2ccccc2)n1
InChIInChI=1S/C21H21N3O3S/c1-2-12-23(16-18-9-6-15-28-18)21(26)19-10-11-20(25)24(22-19)13-14-27-17-7-4-3-5-8-17/h2-11,15H,1,12-14,16H2
InChIKeyNVTUAVVEQSYNMI-UHFFFAOYSA-N
XLogP3.21
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

6-oxo-1-(2-phenoxyethyl)-N-(thiophen-2-ylmethyl)pyridazine-3-carboxamide
CID 32983278
6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxylic acid
CID 7131845
2-[(2-phenoxyacetyl)amino]-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide
CID 31330766
N-(3,3-dimethylbutan-2-yl)-N-methyl-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 42951918
[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl] 6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxylate
CID 27427785
N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 31327419
N-[(3-ethoxy-4-propoxyphenyl)methyl]-6-oxo-1-(2-phenoxyethyl)-N-propylpyridazine-3-carboxamide
CID 55429841
N-tert-butyl-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 30780750
2-[(5-amino-2-pyridinyl)sulfanyl]-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide
CID 43300968
4-oxo-3-propan-2-yl-N-prop-2-enyl-N-(thiophen-2-ylmethyl)phthalazine-1-carboxamide
CID 51189856
2-(4-methylphenoxy)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide
CID 67511579
2-(4-methoxyphenoxy)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide
CID 78801568

Frequently Asked Questions

What is the IUPAC name of 6-oxo-1-(2-phenoxyethyl)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)pyridazine-3-carboxamide?
The IUPAC name of 6-oxo-1-(2-phenoxyethyl)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)pyridazine-3-carboxamide (CID 24548186) is 6-oxo-1-(2-phenoxyethyl)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-oxo-1-(2-phenoxyethyl)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)pyridazine-3-carboxamide?
The canonical SMILES for 6-oxo-1-(2-phenoxyethyl)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)pyridazine-3-carboxamide is C=CCN(Cc1cccs1)C(=O)c1ccc(=O)n(CCOc2ccccc2)n1.
What is the InChIKey of 6-oxo-1-(2-phenoxyethyl)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)pyridazine-3-carboxamide?
The InChIKey is NVTUAVVEQSYNMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3S/c1-2-12-23(16-18-9-6-15-28-18)21(26)19-10-11-20(25)24(22-19)13-14-27-17-7-4-3-5-8-17/h2-11,15H,1,12-14,16H2.
What are the key properties of 6-oxo-1-(2-phenoxyethyl)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)pyridazine-3-carboxamide?
6-oxo-1-(2-phenoxyethyl)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)pyridazine-3-carboxamide has a molecular weight of 395.48 g/mol, XLogP of 3.21, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-1-(2-phenoxyethyl)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)pyridazine-3-carboxamide is sourced from PubChem (CID 24548186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).