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

C20H22N4O3 — CID 16676871

IUPAC2-[5-amino-3-(2,5-dimethylfuran-3-yl)-6-oxopyridazin-1-yl]-N-(2-phenylethyl)acetamide
SMILESCc1cc(-c2cc(N)c(=O)n(CC(=O)NCCc3ccccc3)n2)c(C)o1
InChIInChI=1S/C20H22N4O3/c1-13-10-16(14(2)27-13)18-11-17(21)20(26)24(23-18)12-19(25)22-9-8-15-6-4-3-5-7-15/h3-7,10-11H,8-9,12,21H2,1-2H3,(H,22,25)
InChIKeyPXCFOZUXVCSUMP-UHFFFAOYSA-N
MW366.42 g/mol
LogP2.06
Rot. Bonds6

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

2-[5-amino-3-(2,5-dimethylfuran-3-yl)-6-oxopyridazin-1-yl]-N-(2-phenylethyl)acetamide (PubChem CID 16676871) has the molecular formula C20H22N4O3 and a molecular weight of 366.42 g/mol. Its IUPAC name is 2-[5-amino-3-(2,5-dimethylfuran-3-yl)-6-oxopyridazin-1-yl]-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[5-amino-3-(2,5-dimethylfuran-3-yl)-6-oxopyridazin-1-yl]-N-(2-phenylethyl)acetamide
PubChem CID16676871
Molecular FormulaC20H22N4O3
Molecular Weight366.42 g/mol
Exact Mass366.17
IUPAC Name2-[5-amino-3-(2,5-dimethylfuran-3-yl)-6-oxopyridazin-1-yl]-N-(2-phenylethyl)acetamide
SMILESCc1cc(-c2cc(N)c(=O)n(CC(=O)NCCc3ccccc3)n2)c(C)o1
InChIInChI=1S/C20H22N4O3/c1-13-10-16(14(2)27-13)18-11-17(21)20(26)24(23-18)12-19(25)22-9-8-15-6-4-3-5-7-15/h3-7,10-11H,8-9,12,21H2,1-2H3,(H,22,25)
InChIKeyPXCFOZUXVCSUMP-UHFFFAOYSA-N
XLogP2.06
TPSA103.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[5-amino-3-(2,5-dimethylfuran-3-yl)-6-oxopyridazin-1-yl]-N-[2-(difluoromethoxy)phenyl]acetamide
CID 16676655
2-[5-amino-3-(5-methylthiophen-2-yl)-6-oxopyridazin-1-yl]-N-(2-phenoxyethyl)acetamide
CID 46961356
2-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)-N-(2-phenylethyl)acetamide
CID 53056505
2-[3-(2,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]-N-(2-phenylethyl)acetamide
CID 7666583
2-[5-amino-3-(5-methylfuran-2-yl)-6-oxopyridazin-1-yl]-N-(2-methylpropyl)acetamide
CID 16676631
2-(8-fluoro-4-methyl-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)-N-(2-phenylethyl)acetamide
CID 20884963
2-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)-N-(3-phenylpropyl)acetamide
CID 53056256
2-[7-(4-methoxyphenyl)-2-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]-N-(2-phenylethyl)acetamide
CID 16906171
N-[2-(4-chlorophenyl)ethyl]-2-(7-methyl-4-oxo-2-phenylpyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide
CID 20953605
2-[5-(phenoxymethyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]-N-(2-phenylethyl)acetamide
CID 126163817
2-(2-methyl-4-oxo-7-phenyl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)-N-(2-phenylethyl)acetamide
CID 16905880
2-[2-(4-methoxyphenyl)-7-methyl-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-(3-phenylpropyl)acetamide
CID 20953720

Frequently Asked Questions

What is the IUPAC name of 2-[5-amino-3-(2,5-dimethylfuran-3-yl)-6-oxopyridazin-1-yl]-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-[5-amino-3-(2,5-dimethylfuran-3-yl)-6-oxopyridazin-1-yl]-N-(2-phenylethyl)acetamide (CID 16676871) is 2-[5-amino-3-(2,5-dimethylfuran-3-yl)-6-oxopyridazin-1-yl]-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-[5-amino-3-(2,5-dimethylfuran-3-yl)-6-oxopyridazin-1-yl]-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-[5-amino-3-(2,5-dimethylfuran-3-yl)-6-oxopyridazin-1-yl]-N-(2-phenylethyl)acetamide is Cc1cc(-c2cc(N)c(=O)n(CC(=O)NCCc3ccccc3)n2)c(C)o1.
What is the InChIKey of 2-[5-amino-3-(2,5-dimethylfuran-3-yl)-6-oxopyridazin-1-yl]-N-(2-phenylethyl)acetamide?
The InChIKey is PXCFOZUXVCSUMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3/c1-13-10-16(14(2)27-13)18-11-17(21)20(26)24(23-18)12-19(25)22-9-8-15-6-4-3-5-7-15/h3-7,10-11H,8-9,12,21H2,1-2H3,(H,22,25).
What are the key properties of 2-[5-amino-3-(2,5-dimethylfuran-3-yl)-6-oxopyridazin-1-yl]-N-(2-phenylethyl)acetamide?
2-[5-amino-3-(2,5-dimethylfuran-3-yl)-6-oxopyridazin-1-yl]-N-(2-phenylethyl)acetamide has a molecular weight of 366.42 g/mol, XLogP of 2.06, 6 rotatable bonds, 2 hydrogen bond donors, and 6 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-phenylethyl)acetamide is sourced from PubChem (CID 16676871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).