N-cyclooctyl-2-[4-(dimethylamino)-6-oxopyridazin-1-yl]acetamide

C16H26N4O2 — CID 72902728

IUPACN-cyclooctyl-2-[4-(dimethylamino)-6-oxopyridazin-1-yl]acetamide
SMILESCN(C)c1cnn(CC(=O)NC2CCCCCCC2)c(=O)c1
InChIInChI=1S/C16H26N4O2/c1-19(2)14-10-16(22)20(17-11-14)12-15(21)18-13-8-6-4-3-5-7-9-13/h10-11,13H,3-9,12H2,1-2H3,(H,18,21)
InChIKeyCFRINSCIXZDFDQ-UHFFFAOYSA-N
MW306.41 g/mol
LogP1.54
Rot. Bonds4

About N-cyclooctyl-2-[4-(dimethylamino)-6-oxopyridazin-1-yl]acetamide

N-cyclooctyl-2-[4-(dimethylamino)-6-oxopyridazin-1-yl]acetamide (PubChem CID 72902728) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is N-cyclooctyl-2-[4-(dimethylamino)-6-oxopyridazin-1-yl]acetamide.

Molecular Properties

Compound NameN-cyclooctyl-2-[4-(dimethylamino)-6-oxopyridazin-1-yl]acetamide
PubChem CID72902728
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC NameN-cyclooctyl-2-[4-(dimethylamino)-6-oxopyridazin-1-yl]acetamide
SMILESCN(C)c1cnn(CC(=O)NC2CCCCCCC2)c(=O)c1
InChIInChI=1S/C16H26N4O2/c1-19(2)14-10-16(22)20(17-11-14)12-15(21)18-13-8-6-4-3-5-7-9-13/h10-11,13H,3-9,12H2,1-2H3,(H,18,21)
InChIKeyCFRINSCIXZDFDQ-UHFFFAOYSA-N
XLogP1.54
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclooctyl-2-[4-(dimethylamino)-6-oxopyridazin-1-yl]acetamide?
The IUPAC name of N-cyclooctyl-2-[4-(dimethylamino)-6-oxopyridazin-1-yl]acetamide (CID 72902728) is N-cyclooctyl-2-[4-(dimethylamino)-6-oxopyridazin-1-yl]acetamide.
What is the SMILES notation for N-cyclooctyl-2-[4-(dimethylamino)-6-oxopyridazin-1-yl]acetamide?
The canonical SMILES for N-cyclooctyl-2-[4-(dimethylamino)-6-oxopyridazin-1-yl]acetamide is CN(C)c1cnn(CC(=O)NC2CCCCCCC2)c(=O)c1.
What is the InChIKey of N-cyclooctyl-2-[4-(dimethylamino)-6-oxopyridazin-1-yl]acetamide?
The InChIKey is CFRINSCIXZDFDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-19(2)14-10-16(22)20(17-11-14)12-15(21)18-13-8-6-4-3-5-7-9-13/h10-11,13H,3-9,12H2,1-2H3,(H,18,21).
What are the key properties of N-cyclooctyl-2-[4-(dimethylamino)-6-oxopyridazin-1-yl]acetamide?
N-cyclooctyl-2-[4-(dimethylamino)-6-oxopyridazin-1-yl]acetamide has a molecular weight of 306.41 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclooctyl-2-[4-(dimethylamino)-6-oxopyridazin-1-yl]acetamide is sourced from PubChem (CID 72902728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).