1-benzyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-oxo-4,5-dihydropyridazine-3-carboxamide

C20H19N3O4 — CID 55741600

IUPAC1-benzyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCCO2)C1=NN(Cc2ccccc2)C(=O)CC1
InChIInChI=1S/C20H19N3O4/c24-19-9-7-16(22-23(19)13-14-4-2-1-3-5-14)20(25)21-15-6-8-17-18(12-15)27-11-10-26-17/h1-6,8,12H,7,9-11,13H2,(H,21,25)
InChIKeyIRIQPRVEZOUTSS-UHFFFAOYSA-N
MW365.39 g/mol
LogP2.57
Rot. Bonds4

About 1-benzyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-oxo-4,5-dihydropyridazine-3-carboxamide

1-benzyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-oxo-4,5-dihydropyridazine-3-carboxamide (PubChem CID 55741600) has the molecular formula C20H19N3O4 and a molecular weight of 365.39 g/mol. Its IUPAC name is 1-benzyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-oxo-4,5-dihydropyridazine-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
PubChem CID55741600
Molecular FormulaC20H19N3O4
Molecular Weight365.39 g/mol
Exact Mass365.14
IUPAC Name1-benzyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCCO2)C1=NN(Cc2ccccc2)C(=O)CC1
InChIInChI=1S/C20H19N3O4/c24-19-9-7-16(22-23(19)13-14-4-2-1-3-5-14)20(25)21-15-6-8-17-18(12-15)27-11-10-26-17/h1-6,8,12H,7,9-11,13H2,(H,21,25)
InChIKeyIRIQPRVEZOUTSS-UHFFFAOYSA-N
XLogP2.57
TPSA80.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-benzyl-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 55738993
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(2,5-dimethylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 8702036
1-benzyl-N-(4-methyl-2-pyridinyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 60555152
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-[(4-fluorophenyl)methyl]-N-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 55774149
1-benzyl-6-oxo-N'-(1H-pyrrole-2-carbonyl)-4,5-dihydropyridazine-3-carbohydrazide
CID 78879861
N-(1,3-benzodioxol-5-yl)-1-(3-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 4880571
2-[benzyl(methyl)amino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidine-5-carboxamide
CID 109256854
1-benzyl-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3,5-dimethylpyrazole-4-carboxamide
CID 26313603
3-(chloromethyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide
CID 43333468
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,2-diphenylacetamide
CID 872269
N-(1,3-benzodioxol-5-yl)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide
CID 27648532
N-(1,3-benzodioxol-5-yl)-1-benzyltriazole-4-carboxamide
CID 31699405

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The IUPAC name of 1-benzyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-oxo-4,5-dihydropyridazine-3-carboxamide (CID 55741600) is 1-benzyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-oxo-4,5-dihydropyridazine-3-carboxamide.
What is the SMILES notation for 1-benzyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The canonical SMILES for 1-benzyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-oxo-4,5-dihydropyridazine-3-carboxamide is O=C(Nc1ccc2c(c1)OCCO2)C1=NN(Cc2ccccc2)C(=O)CC1.
What is the InChIKey of 1-benzyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The InChIKey is IRIQPRVEZOUTSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O4/c24-19-9-7-16(22-23(19)13-14-4-2-1-3-5-14)20(25)21-15-6-8-17-18(12-15)27-11-10-26-17/h1-6,8,12H,7,9-11,13H2,(H,21,25).
What are the key properties of 1-benzyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-oxo-4,5-dihydropyridazine-3-carboxamide?
1-benzyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-oxo-4,5-dihydropyridazine-3-carboxamide has a molecular weight of 365.39 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-oxo-4,5-dihydropyridazine-3-carboxamide is sourced from PubChem (CID 55741600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).