2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[4-(2-methylbutan-2-yl)cyclohexyl]acetamide

C17H25Cl2N3O2 — CID 9492242

IUPAC2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[4-(2-methylbutan-2-yl)cyclohexyl]acetamide
SMILESCCC(C)(C)C1CCC(NC(=O)Cn2ncc(Cl)c(Cl)c2=O)CC1
InChIInChI=1S/C17H25Cl2N3O2/c1-4-17(2,3)11-5-7-12(8-6-11)21-14(23)10-22-16(24)15(19)13(18)9-20-22/h9,11-12H,4-8,10H2,1-3H3,(H,21,23)
InChIKeyKEXKJIZXAHOQRK-UHFFFAOYSA-N
MW374.31 g/mol
LogP3.66
Rot. Bonds5

About 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[4-(2-methylbutan-2-yl)cyclohexyl]acetamide

2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[4-(2-methylbutan-2-yl)cyclohexyl]acetamide (PubChem CID 9492242) has the molecular formula C17H25Cl2N3O2 and a molecular weight of 374.31 g/mol. Its IUPAC name is 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[4-(2-methylbutan-2-yl)cyclohexyl]acetamide.

Molecular Properties

Compound Name2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[4-(2-methylbutan-2-yl)cyclohexyl]acetamide
PubChem CID9492242
Molecular FormulaC17H25Cl2N3O2
Molecular Weight374.31 g/mol
Exact Mass373.13
IUPAC Name2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[4-(2-methylbutan-2-yl)cyclohexyl]acetamide
SMILESCCC(C)(C)C1CCC(NC(=O)Cn2ncc(Cl)c(Cl)c2=O)CC1
InChIInChI=1S/C17H25Cl2N3O2/c1-4-17(2,3)11-5-7-12(8-6-11)21-14(23)10-22-16(24)15(19)13(18)9-20-22/h9,11-12H,4-8,10H2,1-3H3,(H,21,23)
InChIKeyKEXKJIZXAHOQRK-UHFFFAOYSA-N
XLogP3.66
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.31
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[4-(2-methylbutan-2-yl)cyclohexyl]acetamide?
The IUPAC name of 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[4-(2-methylbutan-2-yl)cyclohexyl]acetamide (CID 9492242) is 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[4-(2-methylbutan-2-yl)cyclohexyl]acetamide.
What is the SMILES notation for 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[4-(2-methylbutan-2-yl)cyclohexyl]acetamide?
The canonical SMILES for 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[4-(2-methylbutan-2-yl)cyclohexyl]acetamide is CCC(C)(C)C1CCC(NC(=O)Cn2ncc(Cl)c(Cl)c2=O)CC1.
What is the InChIKey of 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[4-(2-methylbutan-2-yl)cyclohexyl]acetamide?
The InChIKey is KEXKJIZXAHOQRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25Cl2N3O2/c1-4-17(2,3)11-5-7-12(8-6-11)21-14(23)10-22-16(24)15(19)13(18)9-20-22/h9,11-12H,4-8,10H2,1-3H3,(H,21,23).
What are the key properties of 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[4-(2-methylbutan-2-yl)cyclohexyl]acetamide?
2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[4-(2-methylbutan-2-yl)cyclohexyl]acetamide has a molecular weight of 374.31 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[4-(2-methylbutan-2-yl)cyclohexyl]acetamide is sourced from PubChem (CID 9492242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).