2-[5-amino-3-(2,5-dimethylfuran-3-yl)-6-oxopyridazin-1-yl]-N-[2-(difluoromethoxy)phenyl]acetamide

C19H18F2N4O4 — CID 16676655

IUPAC2-[5-amino-3-(2,5-dimethylfuran-3-yl)-6-oxopyridazin-1-yl]-N-[2-(difluoromethoxy)phenyl]acetamide
SMILESCc1cc(-c2cc(N)c(=O)n(CC(=O)Nc3ccccc3OC(F)F)n2)c(C)o1
InChIInChI=1S/C19H18F2N4O4/c1-10-7-12(11(2)28-10)15-8-13(22)18(27)25(24-15)9-17(26)23-14-5-3-4-6-16(14)29-19(20)21/h3-8,19H,9,22H2,1-2H3,(H,23,26)
InChIKeyQHLWZKGJNXQDDT-UHFFFAOYSA-N
MW404.37 g/mol
LogP2.94
Rot. Bonds6

About 2-[5-amino-3-(2,5-dimethylfuran-3-yl)-6-oxopyridazin-1-yl]-N-[2-(difluoromethoxy)phenyl]acetamide

2-[5-amino-3-(2,5-dimethylfuran-3-yl)-6-oxopyridazin-1-yl]-N-[2-(difluoromethoxy)phenyl]acetamide (PubChem CID 16676655) has the molecular formula C19H18F2N4O4 and a molecular weight of 404.37 g/mol. Its IUPAC name is 2-[5-amino-3-(2,5-dimethylfuran-3-yl)-6-oxopyridazin-1-yl]-N-[2-(difluoromethoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-[5-amino-3-(2,5-dimethylfuran-3-yl)-6-oxopyridazin-1-yl]-N-[2-(difluoromethoxy)phenyl]acetamide
PubChem CID16676655
Molecular FormulaC19H18F2N4O4
Molecular Weight404.37 g/mol
Exact Mass404.13
IUPAC Name2-[5-amino-3-(2,5-dimethylfuran-3-yl)-6-oxopyridazin-1-yl]-N-[2-(difluoromethoxy)phenyl]acetamide
SMILESCc1cc(-c2cc(N)c(=O)n(CC(=O)Nc3ccccc3OC(F)F)n2)c(C)o1
InChIInChI=1S/C19H18F2N4O4/c1-10-7-12(11(2)28-10)15-8-13(22)18(27)25(24-15)9-17(26)23-14-5-3-4-6-16(14)29-19(20)21/h3-8,19H,9,22H2,1-2H3,(H,23,26)
InChIKeyQHLWZKGJNXQDDT-UHFFFAOYSA-N
XLogP2.94
TPSA112.38 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.37
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[5-amino-3-(2,5-dimethylfuran-3-yl)-6-oxopyridazin-1-yl]-N-(2-phenylethyl)acetamide
CID 16676871
2-(5-amino-6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-(2-methoxyphenyl)acetamide
CID 46960778
N-[2-(difluoromethoxy)phenyl]-2-[4-(difluoromethyl)-3-methyl-6-phenylpyrazolo[5,4-b]pyridin-1-yl]acetamide
CID 19501739
2-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(difluoromethoxy)phenyl]acetamide
CID 2603803
2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)-N-[2-(difluoromethoxy)phenyl]acetamide
CID 86207797
[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-(4-propanoylphenoxy)acetate
CID 7855020
[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 3-(4-methylphenoxy)propanoate
CID 7840498
N-[2-(difluoromethoxy)phenyl]-2-pyrazol-1-ylacetamide
CID 39723759
N-[2-(difluoromethoxy)phenyl]-2-(2-ethoxyphenoxy)acetamide
CID 7941491
N-[2-(difluoromethoxy)-4-fluorophenyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 19525992
[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 4-(4-methylphenoxy)butanoate
CID 7147730
2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[2-(difluoromethoxy)phenyl]acetamide
CID 19520940

Frequently Asked Questions

What is the IUPAC name of 2-[5-amino-3-(2,5-dimethylfuran-3-yl)-6-oxopyridazin-1-yl]-N-[2-(difluoromethoxy)phenyl]acetamide?
The IUPAC name of 2-[5-amino-3-(2,5-dimethylfuran-3-yl)-6-oxopyridazin-1-yl]-N-[2-(difluoromethoxy)phenyl]acetamide (CID 16676655) is 2-[5-amino-3-(2,5-dimethylfuran-3-yl)-6-oxopyridazin-1-yl]-N-[2-(difluoromethoxy)phenyl]acetamide.
What is the SMILES notation for 2-[5-amino-3-(2,5-dimethylfuran-3-yl)-6-oxopyridazin-1-yl]-N-[2-(difluoromethoxy)phenyl]acetamide?
The canonical SMILES for 2-[5-amino-3-(2,5-dimethylfuran-3-yl)-6-oxopyridazin-1-yl]-N-[2-(difluoromethoxy)phenyl]acetamide is Cc1cc(-c2cc(N)c(=O)n(CC(=O)Nc3ccccc3OC(F)F)n2)c(C)o1.
What is the InChIKey of 2-[5-amino-3-(2,5-dimethylfuran-3-yl)-6-oxopyridazin-1-yl]-N-[2-(difluoromethoxy)phenyl]acetamide?
The InChIKey is QHLWZKGJNXQDDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F2N4O4/c1-10-7-12(11(2)28-10)15-8-13(22)18(27)25(24-15)9-17(26)23-14-5-3-4-6-16(14)29-19(20)21/h3-8,19H,9,22H2,1-2H3,(H,23,26).
What are the key properties of 2-[5-amino-3-(2,5-dimethylfuran-3-yl)-6-oxopyridazin-1-yl]-N-[2-(difluoromethoxy)phenyl]acetamide?
2-[5-amino-3-(2,5-dimethylfuran-3-yl)-6-oxopyridazin-1-yl]-N-[2-(difluoromethoxy)phenyl]acetamide has a molecular weight of 404.37 g/mol, XLogP of 2.94, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-amino-3-(2,5-dimethylfuran-3-yl)-6-oxopyridazin-1-yl]-N-[2-(difluoromethoxy)phenyl]acetamide is sourced from PubChem (CID 16676655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).