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

C18H24N4O3 — CID 16676518

IUPAC2-[5-amino-3-(2,5-dimethylfuran-3-yl)-6-oxopyridazin-1-yl]-N-cyclohexylacetamide
SMILESCc1cc(-c2cc(N)c(=O)n(CC(=O)NC3CCCCC3)n2)c(C)o1
InChIInChI=1S/C18H24N4O3/c1-11-8-14(12(2)25-11)16-9-15(19)18(24)22(21-16)10-17(23)20-13-6-4-3-5-7-13/h8-9,13H,3-7,10,19H2,1-2H3,(H,20,23)
InChIKeyZDLIAQAHVAJWHX-UHFFFAOYSA-N
MW344.42 g/mol
LogP2.15
Rot. Bonds4

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

2-[5-amino-3-(2,5-dimethylfuran-3-yl)-6-oxopyridazin-1-yl]-N-cyclohexylacetamide (PubChem CID 16676518) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is 2-[5-amino-3-(2,5-dimethylfuran-3-yl)-6-oxopyridazin-1-yl]-N-cyclohexylacetamide.

Molecular Properties

Compound Name2-[5-amino-3-(2,5-dimethylfuran-3-yl)-6-oxopyridazin-1-yl]-N-cyclohexylacetamide
PubChem CID16676518
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC Name2-[5-amino-3-(2,5-dimethylfuran-3-yl)-6-oxopyridazin-1-yl]-N-cyclohexylacetamide
SMILESCc1cc(-c2cc(N)c(=O)n(CC(=O)NC3CCCCC3)n2)c(C)o1
InChIInChI=1S/C18H24N4O3/c1-11-8-14(12(2)25-11)16-9-15(19)18(24)22(21-16)10-17(23)20-13-6-4-3-5-7-13/h8-9,13H,3-7,10,19H2,1-2H3,(H,20,23)
InChIKeyZDLIAQAHVAJWHX-UHFFFAOYSA-N
XLogP2.15
TPSA103.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[5-amino-3-(2,5-dimethylfuran-3-yl)-6-oxopyridazin-1-yl]-N-cyclohexylacetamide?
The IUPAC name of 2-[5-amino-3-(2,5-dimethylfuran-3-yl)-6-oxopyridazin-1-yl]-N-cyclohexylacetamide (CID 16676518) is 2-[5-amino-3-(2,5-dimethylfuran-3-yl)-6-oxopyridazin-1-yl]-N-cyclohexylacetamide.
What is the SMILES notation for 2-[5-amino-3-(2,5-dimethylfuran-3-yl)-6-oxopyridazin-1-yl]-N-cyclohexylacetamide?
The canonical SMILES for 2-[5-amino-3-(2,5-dimethylfuran-3-yl)-6-oxopyridazin-1-yl]-N-cyclohexylacetamide is Cc1cc(-c2cc(N)c(=O)n(CC(=O)NC3CCCCC3)n2)c(C)o1.
What is the InChIKey of 2-[5-amino-3-(2,5-dimethylfuran-3-yl)-6-oxopyridazin-1-yl]-N-cyclohexylacetamide?
The InChIKey is ZDLIAQAHVAJWHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-11-8-14(12(2)25-11)16-9-15(19)18(24)22(21-16)10-17(23)20-13-6-4-3-5-7-13/h8-9,13H,3-7,10,19H2,1-2H3,(H,20,23).
What are the key properties of 2-[5-amino-3-(2,5-dimethylfuran-3-yl)-6-oxopyridazin-1-yl]-N-cyclohexylacetamide?
2-[5-amino-3-(2,5-dimethylfuran-3-yl)-6-oxopyridazin-1-yl]-N-cyclohexylacetamide has a molecular weight of 344.42 g/mol, XLogP of 2.15, 4 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-cyclohexylacetamide is sourced from PubChem (CID 16676518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).