2-[3-(2-chlorophenyl)-6-oxopyridazin-1-yl]-N-(2,2-dimethyloxan-4-yl)acetamide

C19H22ClN3O3 — CID 56761536

IUPAC2-[3-(2-chlorophenyl)-6-oxopyridazin-1-yl]-N-(2,2-dimethyloxan-4-yl)acetamide
SMILESCC1(C)CC(NC(=O)Cn2nc(-c3ccccc3Cl)ccc2=O)CCO1
InChIInChI=1S/C19H22ClN3O3/c1-19(2)11-13(9-10-26-19)21-17(24)12-23-18(25)8-7-16(22-23)14-5-3-4-6-15(14)20/h3-8,13H,9-12H2,1-2H3,(H,21,24)
InChIKeyPTXJSDSFGKXEQF-UHFFFAOYSA-N
MW375.86 g/mol
LogP2.64
Rot. Bonds4

About 2-[3-(2-chlorophenyl)-6-oxopyridazin-1-yl]-N-(2,2-dimethyloxan-4-yl)acetamide

2-[3-(2-chlorophenyl)-6-oxopyridazin-1-yl]-N-(2,2-dimethyloxan-4-yl)acetamide (PubChem CID 56761536) has the molecular formula C19H22ClN3O3 and a molecular weight of 375.86 g/mol. Its IUPAC name is 2-[3-(2-chlorophenyl)-6-oxopyridazin-1-yl]-N-(2,2-dimethyloxan-4-yl)acetamide.

Molecular Properties

Compound Name2-[3-(2-chlorophenyl)-6-oxopyridazin-1-yl]-N-(2,2-dimethyloxan-4-yl)acetamide
PubChem CID56761536
Molecular FormulaC19H22ClN3O3
Molecular Weight375.86 g/mol
Exact Mass375.13
IUPAC Name2-[3-(2-chlorophenyl)-6-oxopyridazin-1-yl]-N-(2,2-dimethyloxan-4-yl)acetamide
SMILESCC1(C)CC(NC(=O)Cn2nc(-c3ccccc3Cl)ccc2=O)CCO1
InChIInChI=1S/C19H22ClN3O3/c1-19(2)11-13(9-10-26-19)21-17(24)12-23-18(25)8-7-16(22-23)14-5-3-4-6-15(14)20/h3-8,13H,9-12H2,1-2H3,(H,21,24)
InChIKeyPTXJSDSFGKXEQF-UHFFFAOYSA-N
XLogP2.64
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.86
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-chlorophenyl)-6-oxopyridazin-1-yl]-N-(2,2-dimethyloxan-4-yl)acetamide?
The IUPAC name of 2-[3-(2-chlorophenyl)-6-oxopyridazin-1-yl]-N-(2,2-dimethyloxan-4-yl)acetamide (CID 56761536) is 2-[3-(2-chlorophenyl)-6-oxopyridazin-1-yl]-N-(2,2-dimethyloxan-4-yl)acetamide.
What is the SMILES notation for 2-[3-(2-chlorophenyl)-6-oxopyridazin-1-yl]-N-(2,2-dimethyloxan-4-yl)acetamide?
The canonical SMILES for 2-[3-(2-chlorophenyl)-6-oxopyridazin-1-yl]-N-(2,2-dimethyloxan-4-yl)acetamide is CC1(C)CC(NC(=O)Cn2nc(-c3ccccc3Cl)ccc2=O)CCO1.
What is the InChIKey of 2-[3-(2-chlorophenyl)-6-oxopyridazin-1-yl]-N-(2,2-dimethyloxan-4-yl)acetamide?
The InChIKey is PTXJSDSFGKXEQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O3/c1-19(2)11-13(9-10-26-19)21-17(24)12-23-18(25)8-7-16(22-23)14-5-3-4-6-15(14)20/h3-8,13H,9-12H2,1-2H3,(H,21,24).
What are the key properties of 2-[3-(2-chlorophenyl)-6-oxopyridazin-1-yl]-N-(2,2-dimethyloxan-4-yl)acetamide?
2-[3-(2-chlorophenyl)-6-oxopyridazin-1-yl]-N-(2,2-dimethyloxan-4-yl)acetamide has a molecular weight of 375.86 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-chlorophenyl)-6-oxopyridazin-1-yl]-N-(2,2-dimethyloxan-4-yl)acetamide is sourced from PubChem (CID 56761536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).