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

C24H25ClN4O2 — CID 41077765

IUPACN-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2-(4-chlorophenoxy)acetamide
SMILESO=C(COc1ccc(Cl)cc1)Nc1cccc(-c2ccc(N3CCCCCC3)nn2)c1
InChIInChI=1S/C24H25ClN4O2/c25-19-8-10-21(11-9-19)31-17-24(30)26-20-7-5-6-18(16-20)22-12-13-23(28-27-22)29-14-3-1-2-4-15-29/h5-13,16H,1-4,14-15,17H2,(H,26,30)
InChIKeyBSMFHEFHDYPMDF-UHFFFAOYSA-N
MW436.94 g/mol
LogP5.19
Rot. Bonds6

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

N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2-(4-chlorophenoxy)acetamide (PubChem CID 41077765) has the molecular formula C24H25ClN4O2 and a molecular weight of 436.94 g/mol. Its IUPAC name is N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2-(4-chlorophenoxy)acetamide.

Molecular Properties

Compound NameN-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2-(4-chlorophenoxy)acetamide
PubChem CID41077765
Molecular FormulaC24H25ClN4O2
Molecular Weight436.94 g/mol
Exact Mass436.17
IUPAC NameN-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2-(4-chlorophenoxy)acetamide
SMILESO=C(COc1ccc(Cl)cc1)Nc1cccc(-c2ccc(N3CCCCCC3)nn2)c1
InChIInChI=1S/C24H25ClN4O2/c25-19-8-10-21(11-9-19)31-17-24(30)26-20-7-5-6-18(16-20)22-12-13-23(28-27-22)29-14-3-1-2-4-15-29/h5-13,16H,1-4,14-15,17H2,(H,26,30)
InChIKeyBSMFHEFHDYPMDF-UHFFFAOYSA-N
XLogP5.19
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.94
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2-phenoxyacetamide
CID 8670390
2-(4-methoxyphenoxy)-N-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]acetamide
CID 43991777
2-(4-acetamidophenoxy)-N-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]acetamide
CID 43991753
2-(4-ethylphenoxy)-N-[3-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]acetamide
CID 43991637
N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2-(3,4-dimethylphenoxy)acetamide
CID 43991338
2-[3-(diethylamino)phenoxy]-N-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]acetamide
CID 43991758
2-(2-methoxyphenoxy)-N-[3-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]acetamide
CID 43991643
2-(4-chlorophenoxy)-N-[3-(2-piperidin-1-yl-1,3-thiazol-4-yl)phenyl]acetamide
CID 1195308
2-(4-tert-butylphenoxy)-N-[3-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]acetamide
CID 43991479
2-(2,5-dichlorophenoxy)-N-[3-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]acetamide
CID 43992034
2-(4-ethylphenoxy)-N-[3-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]acetamide
CID 43991501
N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2,4-dichlorobenzamide
CID 43991326

Frequently Asked Questions

What is the IUPAC name of N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2-(4-chlorophenoxy)acetamide?
The IUPAC name of N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2-(4-chlorophenoxy)acetamide (CID 41077765) is N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2-(4-chlorophenoxy)acetamide.
What is the SMILES notation for N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2-(4-chlorophenoxy)acetamide?
The canonical SMILES for N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2-(4-chlorophenoxy)acetamide is O=C(COc1ccc(Cl)cc1)Nc1cccc(-c2ccc(N3CCCCCC3)nn2)c1.
What is the InChIKey of N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2-(4-chlorophenoxy)acetamide?
The InChIKey is BSMFHEFHDYPMDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN4O2/c25-19-8-10-21(11-9-19)31-17-24(30)26-20-7-5-6-18(16-20)22-12-13-23(28-27-22)29-14-3-1-2-4-15-29/h5-13,16H,1-4,14-15,17H2,(H,26,30).
What are the key properties of N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2-(4-chlorophenoxy)acetamide?
N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2-(4-chlorophenoxy)acetamide has a molecular weight of 436.94 g/mol, XLogP of 5.19, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2-(4-chlorophenoxy)acetamide is sourced from PubChem (CID 41077765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).