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

C17H22N4O3 — CID 46961152

IUPAC2-[5-amino-3-(2,5-dimethylfuran-3-yl)-6-oxopyridazin-1-yl]-N-cyclopentylacetamide
SMILESCc1cc(-c2cc(N)c(=O)n(CC(=O)NC3CCCC3)n2)c(C)o1
InChIInChI=1S/C17H22N4O3/c1-10-7-13(11(2)24-10)15-8-14(18)17(23)21(20-15)9-16(22)19-12-5-3-4-6-12/h7-8,12H,3-6,9,18H2,1-2H3,(H,19,22)
InChIKeyQZJJEORXDKJEEK-UHFFFAOYSA-N
MW330.39 g/mol
LogP1.76
Rot. Bonds4

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

2-[5-amino-3-(2,5-dimethylfuran-3-yl)-6-oxopyridazin-1-yl]-N-cyclopentylacetamide (PubChem CID 46961152) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is 2-[5-amino-3-(2,5-dimethylfuran-3-yl)-6-oxopyridazin-1-yl]-N-cyclopentylacetamide.

Molecular Properties

Compound Name2-[5-amino-3-(2,5-dimethylfuran-3-yl)-6-oxopyridazin-1-yl]-N-cyclopentylacetamide
PubChem CID46961152
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC Name2-[5-amino-3-(2,5-dimethylfuran-3-yl)-6-oxopyridazin-1-yl]-N-cyclopentylacetamide
SMILESCc1cc(-c2cc(N)c(=O)n(CC(=O)NC3CCCC3)n2)c(C)o1
InChIInChI=1S/C17H22N4O3/c1-10-7-13(11(2)24-10)15-8-14(18)17(23)21(20-15)9-16(22)19-12-5-3-4-6-12/h7-8,12H,3-6,9,18H2,1-2H3,(H,19,22)
InChIKeyQZJJEORXDKJEEK-UHFFFAOYSA-N
XLogP1.76
TPSA103.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 51.76
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-cyclopentylacetamide?
The IUPAC name of 2-[5-amino-3-(2,5-dimethylfuran-3-yl)-6-oxopyridazin-1-yl]-N-cyclopentylacetamide (CID 46961152) is 2-[5-amino-3-(2,5-dimethylfuran-3-yl)-6-oxopyridazin-1-yl]-N-cyclopentylacetamide.
What is the SMILES notation for 2-[5-amino-3-(2,5-dimethylfuran-3-yl)-6-oxopyridazin-1-yl]-N-cyclopentylacetamide?
The canonical SMILES for 2-[5-amino-3-(2,5-dimethylfuran-3-yl)-6-oxopyridazin-1-yl]-N-cyclopentylacetamide is Cc1cc(-c2cc(N)c(=O)n(CC(=O)NC3CCCC3)n2)c(C)o1.
What is the InChIKey of 2-[5-amino-3-(2,5-dimethylfuran-3-yl)-6-oxopyridazin-1-yl]-N-cyclopentylacetamide?
The InChIKey is QZJJEORXDKJEEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3/c1-10-7-13(11(2)24-10)15-8-14(18)17(23)21(20-15)9-16(22)19-12-5-3-4-6-12/h7-8,12H,3-6,9,18H2,1-2H3,(H,19,22).
What are the key properties of 2-[5-amino-3-(2,5-dimethylfuran-3-yl)-6-oxopyridazin-1-yl]-N-cyclopentylacetamide?
2-[5-amino-3-(2,5-dimethylfuran-3-yl)-6-oxopyridazin-1-yl]-N-cyclopentylacetamide has a molecular weight of 330.39 g/mol, XLogP of 1.76, 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-cyclopentylacetamide is sourced from PubChem (CID 46961152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).