N-[4-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2-(3,5-dimethoxyphenoxy)acetamide

C26H30N4O4 — CID 43992220

IUPACN-[4-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2-(3,5-dimethoxyphenoxy)acetamide
SMILESCOc1cc(OC)cc(OCC(=O)Nc2ccc(-c3ccc(N4CCCCCC4)nn3)cc2)c1
InChIInChI=1S/C26H30N4O4/c1-32-21-15-22(33-2)17-23(16-21)34-18-26(31)27-20-9-7-19(8-10-20)24-11-12-25(29-28-24)30-13-5-3-4-6-14-30/h7-12,15-17H,3-6,13-14,18H2,1-2H3,(H,27,31)
InChIKeyANAQQXTUYFJDDY-UHFFFAOYSA-N
MW462.55 g/mol
LogP4.56
Rot. Bonds8

About N-[4-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2-(3,5-dimethoxyphenoxy)acetamide

N-[4-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2-(3,5-dimethoxyphenoxy)acetamide (PubChem CID 43992220) has the molecular formula C26H30N4O4 and a molecular weight of 462.55 g/mol. Its IUPAC name is N-[4-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2-(3,5-dimethoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-[4-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2-(3,5-dimethoxyphenoxy)acetamide
PubChem CID43992220
Molecular FormulaC26H30N4O4
Molecular Weight462.55 g/mol
Exact Mass462.23
IUPAC NameN-[4-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2-(3,5-dimethoxyphenoxy)acetamide
SMILESCOc1cc(OC)cc(OCC(=O)Nc2ccc(-c3ccc(N4CCCCCC4)nn3)cc2)c1
InChIInChI=1S/C26H30N4O4/c1-32-21-15-22(33-2)17-23(16-21)34-18-26(31)27-20-9-7-19(8-10-20)24-11-12-25(29-28-24)30-13-5-3-4-6-14-30/h7-12,15-17H,3-6,13-14,18H2,1-2H3,(H,27,31)
InChIKeyANAQQXTUYFJDDY-UHFFFAOYSA-N
XLogP4.56
TPSA85.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.55
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(3,4-dimethylphenoxy)-N-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]acetamide
CID 43992474
2-(4-ethylphenoxy)-N-[4-(6-piperidin-1-ylpyridazin-3-yl)phenyl]acetamide
CID 43992634
N-[4-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2-(4-tert-butylphenoxy)acetamide
CID 43992204
2-(4-fluorophenoxy)-N-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]acetamide
CID 43992502
2-(4-methoxyphenoxy)-N-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]acetamide
CID 43991777
N-[4-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2-(1,3-benzodioxol-5-yloxy)acetamide
CID 43992237
2-(3,5-dimethoxyphenoxy)-N-[4-(6-methoxypyridazin-3-yl)phenyl]acetamide
CID 43991165
2-[3-(diethylamino)phenoxy]-N-[4-(6-piperidin-1-ylpyridazin-3-yl)phenyl]acetamide
CID 43992622
N-[4-(6-piperidin-1-ylpyridazin-3-yl)phenyl]-2-(2,3,5-trimethylphenoxy)acetamide
CID 43992652
2-(4-acetamidophenoxy)-N-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]acetamide
CID 43991753
2-(3,5-dimethylphenoxy)-N-[4-(6-morpholin-4-ylpyridazin-3-yl)phenyl]acetamide
CID 43992745
2-(3,5-dimethoxyphenoxy)-N-[3-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]acetamide
CID 43991495

Frequently Asked Questions

What is the IUPAC name of N-[4-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2-(3,5-dimethoxyphenoxy)acetamide?
The IUPAC name of N-[4-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2-(3,5-dimethoxyphenoxy)acetamide (CID 43992220) is N-[4-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2-(3,5-dimethoxyphenoxy)acetamide.
What is the SMILES notation for N-[4-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2-(3,5-dimethoxyphenoxy)acetamide?
The canonical SMILES for N-[4-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2-(3,5-dimethoxyphenoxy)acetamide is COc1cc(OC)cc(OCC(=O)Nc2ccc(-c3ccc(N4CCCCCC4)nn3)cc2)c1.
What is the InChIKey of N-[4-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2-(3,5-dimethoxyphenoxy)acetamide?
The InChIKey is ANAQQXTUYFJDDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O4/c1-32-21-15-22(33-2)17-23(16-21)34-18-26(31)27-20-9-7-19(8-10-20)24-11-12-25(29-28-24)30-13-5-3-4-6-14-30/h7-12,15-17H,3-6,13-14,18H2,1-2H3,(H,27,31).
What are the key properties of N-[4-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2-(3,5-dimethoxyphenoxy)acetamide?
N-[4-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2-(3,5-dimethoxyphenoxy)acetamide has a molecular weight of 462.55 g/mol, XLogP of 4.56, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2-(3,5-dimethoxyphenoxy)acetamide is sourced from PubChem (CID 43992220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).