N-(1-adamantyl)-2-(4,5-dichloro-6-oxopyridazin-1-yl)acetamide

C16H19Cl2N3O2 — CID 4811965

IUPACN-(1-adamantyl)-2-(4,5-dichloro-6-oxopyridazin-1-yl)acetamide
SMILESO=C(Cn1ncc(Cl)c(Cl)c1=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C16H19Cl2N3O2/c17-12-7-19-21(15(23)14(12)18)8-13(22)20-16-4-9-1-10(5-16)3-11(2-9)6-16/h7,9-11H,1-6,8H2,(H,20,22)
InChIKeyCXHMDDUVFBXFQQ-UHFFFAOYSA-N
MW356.25 g/mol
LogP2.64
Rot. Bonds3

About N-(1-adamantyl)-2-(4,5-dichloro-6-oxopyridazin-1-yl)acetamide

N-(1-adamantyl)-2-(4,5-dichloro-6-oxopyridazin-1-yl)acetamide (PubChem CID 4811965) has the molecular formula C16H19Cl2N3O2 and a molecular weight of 356.25 g/mol. Its IUPAC name is N-(1-adamantyl)-2-(4,5-dichloro-6-oxopyridazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(1-adamantyl)-2-(4,5-dichloro-6-oxopyridazin-1-yl)acetamide
PubChem CID4811965
Molecular FormulaC16H19Cl2N3O2
Molecular Weight356.25 g/mol
Exact Mass355.09
IUPAC NameN-(1-adamantyl)-2-(4,5-dichloro-6-oxopyridazin-1-yl)acetamide
SMILESO=C(Cn1ncc(Cl)c(Cl)c1=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C16H19Cl2N3O2/c17-12-7-19-21(15(23)14(12)18)8-13(22)20-16-4-9-1-10(5-16)3-11(2-9)6-16/h7,9-11H,1-6,8H2,(H,20,22)
InChIKeyCXHMDDUVFBXFQQ-UHFFFAOYSA-N
XLogP2.64
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.25
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-2-(4,5-dichloro-6-oxopyridazin-1-yl)acetamide?
The IUPAC name of N-(1-adamantyl)-2-(4,5-dichloro-6-oxopyridazin-1-yl)acetamide (CID 4811965) is N-(1-adamantyl)-2-(4,5-dichloro-6-oxopyridazin-1-yl)acetamide.
What is the SMILES notation for N-(1-adamantyl)-2-(4,5-dichloro-6-oxopyridazin-1-yl)acetamide?
The canonical SMILES for N-(1-adamantyl)-2-(4,5-dichloro-6-oxopyridazin-1-yl)acetamide is O=C(Cn1ncc(Cl)c(Cl)c1=O)NC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(1-adamantyl)-2-(4,5-dichloro-6-oxopyridazin-1-yl)acetamide?
The InChIKey is CXHMDDUVFBXFQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19Cl2N3O2/c17-12-7-19-21(15(23)14(12)18)8-13(22)20-16-4-9-1-10(5-16)3-11(2-9)6-16/h7,9-11H,1-6,8H2,(H,20,22).
What are the key properties of N-(1-adamantyl)-2-(4,5-dichloro-6-oxopyridazin-1-yl)acetamide?
N-(1-adamantyl)-2-(4,5-dichloro-6-oxopyridazin-1-yl)acetamide has a molecular weight of 356.25 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-2-(4,5-dichloro-6-oxopyridazin-1-yl)acetamide is sourced from PubChem (CID 4811965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).