6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(2,4,6-trimethylphenyl)pyridazine-3-carboxamide

C22H22N4O3 — CID 109128286

IUPAC6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(2,4,6-trimethylphenyl)pyridazine-3-carboxamide
SMILESCc1cc(C)c(NC(=O)c2ccc(Nc3ccc4c(c3)OCCO4)nn2)c(C)c1
InChIInChI=1S/C22H22N4O3/c1-13-10-14(2)21(15(3)11-13)24-22(27)17-5-7-20(26-25-17)23-16-4-6-18-19(12-16)29-9-8-28-18/h4-7,10-12H,8-9H2,1-3H3,(H,23,26)(H,24,27)
InChIKeyKPIKTBYLIDAAQO-UHFFFAOYSA-N
MW390.44 g/mol
LogP4.17
Rot. Bonds4

About 6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(2,4,6-trimethylphenyl)pyridazine-3-carboxamide

6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(2,4,6-trimethylphenyl)pyridazine-3-carboxamide (PubChem CID 109128286) has the molecular formula C22H22N4O3 and a molecular weight of 390.44 g/mol. Its IUPAC name is 6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(2,4,6-trimethylphenyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(2,4,6-trimethylphenyl)pyridazine-3-carboxamide
PubChem CID109128286
Molecular FormulaC22H22N4O3
Molecular Weight390.44 g/mol
Exact Mass390.17
IUPAC Name6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(2,4,6-trimethylphenyl)pyridazine-3-carboxamide
SMILESCc1cc(C)c(NC(=O)c2ccc(Nc3ccc4c(c3)OCCO4)nn2)c(C)c1
InChIInChI=1S/C22H22N4O3/c1-13-10-14(2)21(15(3)11-13)24-22(27)17-5-7-20(26-25-17)23-16-4-6-18-19(12-16)29-9-8-28-18/h4-7,10-12H,8-9H2,1-3H3,(H,23,26)(H,24,27)
InChIKeyKPIKTBYLIDAAQO-UHFFFAOYSA-N
XLogP4.17
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-(3,4-difluoroanilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridazine-3-carboxamide
CID 109130191
6-(5-chloro-2-methylanilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridazine-3-carboxamide
CID 109128870
N-cyclohexyl-6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridazine-3-carboxamide
CID 109113116
N-[6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridazin-3-yl]propanamide
CID 113050284
N-(4-acetamidophenyl)-6-(2,4,6-trimethylanilino)pyridazine-3-carboxamide
CID 109128262
methyl 6-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)pyridazine-3-carboxylate
CID 167970549
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(2-methylpropylamino)pyridazine-3-carboxamide
CID 109111127
N-(1,3-benzodioxol-5-yl)-6-(4-fluoroanilino)pyridazine-3-carboxamide
CID 109128499
N-(1,3-benzodioxol-5-yl)-5-(2,4,6-trimethylanilino)pyridine-2-carboxamide
CID 109198757
6-(1,3-benzodioxol-5-ylamino)-N-propylpyridazine-3-carboxamide
CID 109109368
[6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridazin-3-yl]-(4-methylpiperidin-1-yl)methanone
CID 109113465
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(3,5-dimethylanilino)-2-methylpyrimidine-4-carboxamide
CID 112849103

Frequently Asked Questions

What is the IUPAC name of 6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(2,4,6-trimethylphenyl)pyridazine-3-carboxamide?
The IUPAC name of 6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(2,4,6-trimethylphenyl)pyridazine-3-carboxamide (CID 109128286) is 6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(2,4,6-trimethylphenyl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(2,4,6-trimethylphenyl)pyridazine-3-carboxamide?
The canonical SMILES for 6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(2,4,6-trimethylphenyl)pyridazine-3-carboxamide is Cc1cc(C)c(NC(=O)c2ccc(Nc3ccc4c(c3)OCCO4)nn2)c(C)c1.
What is the InChIKey of 6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(2,4,6-trimethylphenyl)pyridazine-3-carboxamide?
The InChIKey is KPIKTBYLIDAAQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O3/c1-13-10-14(2)21(15(3)11-13)24-22(27)17-5-7-20(26-25-17)23-16-4-6-18-19(12-16)29-9-8-28-18/h4-7,10-12H,8-9H2,1-3H3,(H,23,26)(H,24,27).
What are the key properties of 6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(2,4,6-trimethylphenyl)pyridazine-3-carboxamide?
6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(2,4,6-trimethylphenyl)pyridazine-3-carboxamide has a molecular weight of 390.44 g/mol, XLogP of 4.17, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(2,4,6-trimethylphenyl)pyridazine-3-carboxamide is sourced from PubChem (CID 109128286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).