2-(4-tert-butylphenoxy)-N-[3-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]acetamide

C28H34N4O2 — CID 43991479

IUPAC2-(4-tert-butylphenoxy)-N-[3-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]acetamide
SMILESCC1CCN(c2ccc(-c3cccc(NC(=O)COc4ccc(C(C)(C)C)cc4)c3)nn2)CC1
InChIInChI=1S/C28H34N4O2/c1-20-14-16-32(17-15-20)26-13-12-25(30-31-26)21-6-5-7-23(18-21)29-27(33)19-34-24-10-8-22(9-11-24)28(2,3)4/h5-13,18,20H,14-17,19H2,1-4H3,(H,29,33)
InChIKeyOTBKQQAQLFEDSL-UHFFFAOYSA-N
MW458.61 g/mol
LogP5.69
Rot. Bonds6

About 2-(4-tert-butylphenoxy)-N-[3-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]acetamide

2-(4-tert-butylphenoxy)-N-[3-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]acetamide (PubChem CID 43991479) has the molecular formula C28H34N4O2 and a molecular weight of 458.61 g/mol. Its IUPAC name is 2-(4-tert-butylphenoxy)-N-[3-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]acetamide.

Molecular Properties

Compound Name2-(4-tert-butylphenoxy)-N-[3-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]acetamide
PubChem CID43991479
Molecular FormulaC28H34N4O2
Molecular Weight458.61 g/mol
Exact Mass458.27
IUPAC Name2-(4-tert-butylphenoxy)-N-[3-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]acetamide
SMILESCC1CCN(c2ccc(-c3cccc(NC(=O)COc4ccc(C(C)(C)C)cc4)c3)nn2)CC1
InChIInChI=1S/C28H34N4O2/c1-20-14-16-32(17-15-20)26-13-12-25(30-31-26)21-6-5-7-23(18-21)29-27(33)19-34-24-10-8-22(9-11-24)28(2,3)4/h5-13,18,20H,14-17,19H2,1-4H3,(H,29,33)
InChIKeyOTBKQQAQLFEDSL-UHFFFAOYSA-N
XLogP5.69
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.61
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-ethylphenoxy)-N-[3-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]acetamide
CID 43991501
2-(3,5-dimethoxyphenoxy)-N-[3-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]acetamide
CID 43991495
2-(2-chlorophenoxy)-N-[3-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]acetamide
CID 43991488
1-(4-ethoxyphenyl)-3-[3-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]urea
CID 43991571
2-(4-methoxyphenoxy)-N-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]acetamide
CID 43991777
2-(4-ethylphenoxy)-N-[3-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]acetamide
CID 43991637
2-(4-acetamidophenoxy)-N-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]acetamide
CID 43991753
N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2-phenoxyacetamide
CID 8670390
N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2-(4-chlorophenoxy)acetamide
CID 41077765
N-[4-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2-(4-tert-butylphenoxy)acetamide
CID 43992204
2,2,2-trifluoro-N-[3-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]acetamide
CID 7422385
N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2-(3,4-dimethylphenoxy)acetamide
CID 43991338

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenoxy)-N-[3-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]acetamide?
The IUPAC name of 2-(4-tert-butylphenoxy)-N-[3-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]acetamide (CID 43991479) is 2-(4-tert-butylphenoxy)-N-[3-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]acetamide.
What is the SMILES notation for 2-(4-tert-butylphenoxy)-N-[3-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]acetamide?
The canonical SMILES for 2-(4-tert-butylphenoxy)-N-[3-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]acetamide is CC1CCN(c2ccc(-c3cccc(NC(=O)COc4ccc(C(C)(C)C)cc4)c3)nn2)CC1.
What is the InChIKey of 2-(4-tert-butylphenoxy)-N-[3-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]acetamide?
The InChIKey is OTBKQQAQLFEDSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N4O2/c1-20-14-16-32(17-15-20)26-13-12-25(30-31-26)21-6-5-7-23(18-21)29-27(33)19-34-24-10-8-22(9-11-24)28(2,3)4/h5-13,18,20H,14-17,19H2,1-4H3,(H,29,33).
What are the key properties of 2-(4-tert-butylphenoxy)-N-[3-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]acetamide?
2-(4-tert-butylphenoxy)-N-[3-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]acetamide has a molecular weight of 458.61 g/mol, XLogP of 5.69, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenoxy)-N-[3-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]acetamide is sourced from PubChem (CID 43991479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).