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

C19H26N4O3 — CID 16676651

IUPAC2-[5-amino-3-(2,5-dimethylfuran-3-yl)-6-oxopyridazin-1-yl]-N-(cyclohexylmethyl)acetamide
SMILESCc1cc(-c2cc(N)c(=O)n(CC(=O)NCC3CCCCC3)n2)c(C)o1
InChIInChI=1S/C19H26N4O3/c1-12-8-15(13(2)26-12)17-9-16(20)19(25)23(22-17)11-18(24)21-10-14-6-4-3-5-7-14/h8-9,14H,3-7,10-11,20H2,1-2H3,(H,21,24)
InChIKeyBRRJUMXEISGTRD-UHFFFAOYSA-N
MW358.44 g/mol
LogP2.40
Rot. Bonds5

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

2-[5-amino-3-(2,5-dimethylfuran-3-yl)-6-oxopyridazin-1-yl]-N-(cyclohexylmethyl)acetamide (PubChem CID 16676651) has the molecular formula C19H26N4O3 and a molecular weight of 358.44 g/mol. Its IUPAC name is 2-[5-amino-3-(2,5-dimethylfuran-3-yl)-6-oxopyridazin-1-yl]-N-(cyclohexylmethyl)acetamide.

Molecular Properties

Compound Name2-[5-amino-3-(2,5-dimethylfuran-3-yl)-6-oxopyridazin-1-yl]-N-(cyclohexylmethyl)acetamide
PubChem CID16676651
Molecular FormulaC19H26N4O3
Molecular Weight358.44 g/mol
Exact Mass358.20
IUPAC Name2-[5-amino-3-(2,5-dimethylfuran-3-yl)-6-oxopyridazin-1-yl]-N-(cyclohexylmethyl)acetamide
SMILESCc1cc(-c2cc(N)c(=O)n(CC(=O)NCC3CCCCC3)n2)c(C)o1
InChIInChI=1S/C19H26N4O3/c1-12-8-15(13(2)26-12)17-9-16(20)19(25)23(22-17)11-18(24)21-10-14-6-4-3-5-7-14/h8-9,14H,3-7,10-11,20H2,1-2H3,(H,21,24)
InChIKeyBRRJUMXEISGTRD-UHFFFAOYSA-N
XLogP2.40
TPSA103.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 52.40
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-(cyclohexylmethyl)acetamide?
The IUPAC name of 2-[5-amino-3-(2,5-dimethylfuran-3-yl)-6-oxopyridazin-1-yl]-N-(cyclohexylmethyl)acetamide (CID 16676651) is 2-[5-amino-3-(2,5-dimethylfuran-3-yl)-6-oxopyridazin-1-yl]-N-(cyclohexylmethyl)acetamide.
What is the SMILES notation for 2-[5-amino-3-(2,5-dimethylfuran-3-yl)-6-oxopyridazin-1-yl]-N-(cyclohexylmethyl)acetamide?
The canonical SMILES for 2-[5-amino-3-(2,5-dimethylfuran-3-yl)-6-oxopyridazin-1-yl]-N-(cyclohexylmethyl)acetamide is Cc1cc(-c2cc(N)c(=O)n(CC(=O)NCC3CCCCC3)n2)c(C)o1.
What is the InChIKey of 2-[5-amino-3-(2,5-dimethylfuran-3-yl)-6-oxopyridazin-1-yl]-N-(cyclohexylmethyl)acetamide?
The InChIKey is BRRJUMXEISGTRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O3/c1-12-8-15(13(2)26-12)17-9-16(20)19(25)23(22-17)11-18(24)21-10-14-6-4-3-5-7-14/h8-9,14H,3-7,10-11,20H2,1-2H3,(H,21,24).
What are the key properties of 2-[5-amino-3-(2,5-dimethylfuran-3-yl)-6-oxopyridazin-1-yl]-N-(cyclohexylmethyl)acetamide?
2-[5-amino-3-(2,5-dimethylfuran-3-yl)-6-oxopyridazin-1-yl]-N-(cyclohexylmethyl)acetamide has a molecular weight of 358.44 g/mol, XLogP of 2.40, 5 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-(cyclohexylmethyl)acetamide is sourced from PubChem (CID 16676651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).