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

C21H21N3O4 — CID 8702036

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(2,5-dimethylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
SMILESCc1ccc(C)c(N2N=C(C(=O)Nc3ccc4c(c3)OCCO4)CCC2=O)c1
InChIInChI=1S/C21H21N3O4/c1-13-3-4-14(2)17(11-13)24-20(25)8-6-16(23-24)21(26)22-15-5-7-18-19(12-15)28-10-9-27-18/h3-5,7,11-12H,6,8-10H2,1-2H3,(H,22,26)
InChIKeyBIQOJBYSZLNYMF-UHFFFAOYSA-N
MW379.42 g/mol
LogP3.20
Rot. Bonds3

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

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(2,5-dimethylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide (PubChem CID 8702036) has the molecular formula C21H21N3O4 and a molecular weight of 379.42 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(2,5-dimethylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(2,5-dimethylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
PubChem CID8702036
Molecular FormulaC21H21N3O4
Molecular Weight379.42 g/mol
Exact Mass379.15
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(2,5-dimethylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
SMILESCc1ccc(C)c(N2N=C(C(=O)Nc3ccc4c(c3)OCCO4)CCC2=O)c1
InChIInChI=1S/C21H21N3O4/c1-13-3-4-14(2)17(11-13)24-20(25)8-6-16(23-24)21(26)22-15-5-7-18-19(12-15)28-10-9-27-18/h3-5,7,11-12H,6,8-10H2,1-2H3,(H,22,26)
InChIKeyBIQOJBYSZLNYMF-UHFFFAOYSA-N
XLogP3.20
TPSA80.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-benzodioxol-5-yl)-1-(3-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 4880571
1-(2,5-dimethylphenyl)-6-oxo-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)-4,5-dihydropyridazine-3-carboxamide
CID 55620275
N-(3,4-dimethylphenyl)-1-(4-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 942686
1-(2,5-dimethylphenyl)-6-oxo-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-4,5-dihydropyridazine-3-carboxamide
CID 30249387
1-(2,5-dimethylphenyl)-6-oxo-N-[3-(oxolan-2-ylmethoxy)phenyl]-4,5-dihydropyridazine-3-carboxamide
CID 43056022
1-(2,5-dimethylphenyl)-N-(1-hydroxypropan-2-yl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 78856979
1-benzyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 55741600
1-(2,5-dimethylphenyl)-6-oxo-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]-4,5-dihydropyridazine-3-carboxamide
CID 35227922
1-(2,5-dimethylphenyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 30258041
[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] 1-(2,5-dimethylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxylate
CID 4828949
1-(2,5-dimethylphenyl)-N-[2-(2-methylpropoxy)ethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 60532904
1-(2,5-dimethylphenyl)-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 60535369

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(2,5-dimethylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(2,5-dimethylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide (CID 8702036) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(2,5-dimethylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(2,5-dimethylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(2,5-dimethylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide is Cc1ccc(C)c(N2N=C(C(=O)Nc3ccc4c(c3)OCCO4)CCC2=O)c1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(2,5-dimethylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The InChIKey is BIQOJBYSZLNYMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O4/c1-13-3-4-14(2)17(11-13)24-20(25)8-6-16(23-24)21(26)22-15-5-7-18-19(12-15)28-10-9-27-18/h3-5,7,11-12H,6,8-10H2,1-2H3,(H,22,26).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(2,5-dimethylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(2,5-dimethylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide has a molecular weight of 379.42 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(2,5-dimethylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide is sourced from PubChem (CID 8702036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).