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

C22H23N3O4 — CID 55738993

IUPAC1-benzyl-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
SMILESCC(NC(=O)C1=NN(Cc2ccccc2)C(=O)CC1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C22H23N3O4/c1-15(17-7-9-19-20(13-17)29-12-11-28-19)23-22(27)18-8-10-21(26)25(24-18)14-16-5-3-2-4-6-16/h2-7,9,13,15H,8,10-12,14H2,1H3,(H,23,27)
InChIKeyPPRJTZOUVBBUET-UHFFFAOYSA-N
MW393.44 g/mol
LogP2.81
Rot. Bonds5

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

1-benzyl-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide (PubChem CID 55738993) has the molecular formula C22H23N3O4 and a molecular weight of 393.44 g/mol. Its IUPAC name is 1-benzyl-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
PubChem CID55738993
Molecular FormulaC22H23N3O4
Molecular Weight393.44 g/mol
Exact Mass393.17
IUPAC Name1-benzyl-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
SMILESCC(NC(=O)C1=NN(Cc2ccccc2)C(=O)CC1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C22H23N3O4/c1-15(17-7-9-19-20(13-17)29-12-11-28-19)23-22(27)18-8-10-21(26)25(24-18)14-16-5-3-2-4-6-16/h2-7,9,13,15H,8,10-12,14H2,1H3,(H,23,27)
InChIKeyPPRJTZOUVBBUET-UHFFFAOYSA-N
XLogP2.81
TPSA80.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-benzyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 55741600
2-[(1-benzyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]-3-methylpentanoic acid
CID 119211584
2-[(1-benzyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]-4-methoxybutanoic acid
CID 120701993
4-(3-benzyl-4-oxo-1,3-thiazolidin-2-yl)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]benzamide
CID 133167509
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]pyridine-2-carboxamide
CID 18158025
1-benzyl-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]piperidine-4-carboxamide
CID 133230458
N-[1-(1,3-benzodioxol-5-yl)ethyl]-1-benzyl-2,5-dimethylpyrrole-3-carboxamide
CID 55501486
N-[1-(1,3-benzodioxol-5-yl)ethyl]-1-benzyl-5-ethylpyrazole-4-carboxamide
CID 78873469
N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-phenylmethoxybenzamide
CID 9166024
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide
CID 18136815
N-[(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-6-oxo-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide
CID 39496942
5-benzyl-N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-6,11,11-trioxobenzo[b][1,4]benzothiazepine-3-carboxamide
CID 98207811

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The IUPAC name of 1-benzyl-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide (CID 55738993) is 1-benzyl-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide.
What is the SMILES notation for 1-benzyl-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The canonical SMILES for 1-benzyl-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide is CC(NC(=O)C1=NN(Cc2ccccc2)C(=O)CC1)c1ccc2c(c1)OCCO2.
What is the InChIKey of 1-benzyl-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The InChIKey is PPRJTZOUVBBUET-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O4/c1-15(17-7-9-19-20(13-17)29-12-11-28-19)23-22(27)18-8-10-21(26)25(24-18)14-16-5-3-2-4-6-16/h2-7,9,13,15H,8,10-12,14H2,1H3,(H,23,27).
What are the key properties of 1-benzyl-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide?
1-benzyl-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide has a molecular weight of 393.44 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide is sourced from PubChem (CID 55738993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).