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

C24H22N4O3 — CID 121076379

IUPACN-(4-anilinophenyl)-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-2-methylpropanamide
SMILESCC(C)(C(=O)Nc1ccc(Nc2ccccc2)cc1)n1nc(-c2ccco2)ccc1=O
InChIInChI=1S/C24H22N4O3/c1-24(2,28-22(29)15-14-20(27-28)21-9-6-16-31-21)23(30)26-19-12-10-18(11-13-19)25-17-7-4-3-5-8-17/h3-16,25H,1-2H3,(H,26,30)
InChIKeyQSLPRPAQVQLVMU-UHFFFAOYSA-N
MW414.47 g/mol
LogP4.62
Rot. Bonds6

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

N-(4-anilinophenyl)-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-2-methylpropanamide (PubChem CID 121076379) has the molecular formula C24H22N4O3 and a molecular weight of 414.47 g/mol. Its IUPAC name is N-(4-anilinophenyl)-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-(4-anilinophenyl)-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-2-methylpropanamide
PubChem CID121076379
Molecular FormulaC24H22N4O3
Molecular Weight414.47 g/mol
Exact Mass414.17
IUPAC NameN-(4-anilinophenyl)-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-2-methylpropanamide
SMILESCC(C)(C(=O)Nc1ccc(Nc2ccccc2)cc1)n1nc(-c2ccco2)ccc1=O
InChIInChI=1S/C24H22N4O3/c1-24(2,28-22(29)15-14-20(27-28)21-9-6-16-31-21)23(30)26-19-12-10-18(11-13-19)25-17-7-4-3-5-8-17/h3-16,25H,1-2H3,(H,26,30)
InChIKeyQSLPRPAQVQLVMU-UHFFFAOYSA-N
XLogP4.62
TPSA89.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.47
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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]-2-methylpropanamide
CID 121076279
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-(2-phenylphenyl)propanamide
CID 121076322
2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-2-methyl-N-(3-nitrophenyl)propanamide
CID 121076257
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-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
N-[4-(2-acetamidoethoxy)phenyl]-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-2-methylpropanamide
CID 121076428
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
2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-[2-(1H-indol-3-yl)ethyl]-2-methylpropanamide
CID 52906564

Frequently Asked Questions

What is the IUPAC name of N-(4-anilinophenyl)-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-2-methylpropanamide?
The IUPAC name of N-(4-anilinophenyl)-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-2-methylpropanamide (CID 121076379) is N-(4-anilinophenyl)-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-2-methylpropanamide.
What is the SMILES notation for N-(4-anilinophenyl)-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-2-methylpropanamide?
The canonical SMILES for N-(4-anilinophenyl)-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-2-methylpropanamide is CC(C)(C(=O)Nc1ccc(Nc2ccccc2)cc1)n1nc(-c2ccco2)ccc1=O.
What is the InChIKey of N-(4-anilinophenyl)-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-2-methylpropanamide?
The InChIKey is QSLPRPAQVQLVMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O3/c1-24(2,28-22(29)15-14-20(27-28)21-9-6-16-31-21)23(30)26-19-12-10-18(11-13-19)25-17-7-4-3-5-8-17/h3-16,25H,1-2H3,(H,26,30).
What are the key properties of N-(4-anilinophenyl)-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-2-methylpropanamide?
N-(4-anilinophenyl)-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-2-methylpropanamide has a molecular weight of 414.47 g/mol, XLogP of 4.62, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-anilinophenyl)-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-2-methylpropanamide is sourced from PubChem (CID 121076379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).