N-(3,4-dimethylphenyl)-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-2-methylpropanamide

C20H21N3O3 — CID 121076279

IUPACN-(3,4-dimethylphenyl)-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-2-methylpropanamide
SMILESCc1ccc(NC(=O)C(C)(C)n2nc(-c3ccco3)ccc2=O)cc1C
InChIInChI=1S/C20H21N3O3/c1-13-7-8-15(12-14(13)2)21-19(25)20(3,4)23-18(24)10-9-16(22-23)17-6-5-11-26-17/h5-12H,1-4H3,(H,21,25)
InChIKeyZQGCYFAVOKMQKG-UHFFFAOYSA-N
MW351.41 g/mol
LogP3.49
Rot. Bonds4

About N-(3,4-dimethylphenyl)-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-2-methylpropanamide

N-(3,4-dimethylphenyl)-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-2-methylpropanamide (PubChem CID 121076279) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-2-methylpropanamide
PubChem CID121076279
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC NameN-(3,4-dimethylphenyl)-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-2-methylpropanamide
SMILESCc1ccc(NC(=O)C(C)(C)n2nc(-c3ccco3)ccc2=O)cc1C
InChIInChI=1S/C20H21N3O3/c1-13-7-8-15(12-14(13)2)21-19(25)20(3,4)23-18(24)10-9-16(22-23)17-6-5-11-26-17/h5-12H,1-4H3,(H,21,25)
InChIKeyZQGCYFAVOKMQKG-UHFFFAOYSA-N
XLogP3.49
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-anilinophenyl)-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-2-methylpropanamide
CID 121076379
N-(1,3-benzodioxol-5-yl)-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-2-methylpropanamide
CID 121076255
2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-2-methyl-N-(3-methylsulfanylphenyl)propanamide
CID 121076395
2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-2-methyl-N-(3-nitrophenyl)propanamide
CID 121076257
2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-2-methyl-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 121076284
N-(3,4-dimethylphenyl)-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]propanamide
CID 121076031
N-[4-(2-acetamidoethoxy)phenyl]-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-2-methylpropanamide
CID 121076428
2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-2-methyl-N-pyridin-2-ylpropanamide
CID 121076263
2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-2-methyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide
CID 121076381
2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-2-methyl-N-(2-phenylphenyl)propanamide
CID 121076322
N-(2-cyano-4-nitrophenyl)-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-2-methylpropanamide
CID 121076332
2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-2-methyl-N-[3-(6-oxopyridazin-1-yl)propyl]propanamide
CID 121076436

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-2-methylpropanamide?
The IUPAC name of N-(3,4-dimethylphenyl)-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-2-methylpropanamide (CID 121076279) is N-(3,4-dimethylphenyl)-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-2-methylpropanamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-2-methylpropanamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-2-methylpropanamide is Cc1ccc(NC(=O)C(C)(C)n2nc(-c3ccco3)ccc2=O)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-2-methylpropanamide?
The InChIKey is ZQGCYFAVOKMQKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-13-7-8-15(12-14(13)2)21-19(25)20(3,4)23-18(24)10-9-16(22-23)17-6-5-11-26-17/h5-12H,1-4H3,(H,21,25).
What are the key properties of N-(3,4-dimethylphenyl)-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-2-methylpropanamide?
N-(3,4-dimethylphenyl)-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-2-methylpropanamide has a molecular weight of 351.41 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-2-methylpropanamide is sourced from PubChem (CID 121076279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).