2-(2-methoxyphenoxy)-N-[3-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]acetamide

C23H24N4O3 — CID 43991643

IUPAC2-(2-methoxyphenoxy)-N-[3-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]acetamide
SMILESCOc1ccccc1OCC(=O)Nc1cccc(-c2ccc(N3CCCC3)nn2)c1
InChIInChI=1S/C23H24N4O3/c1-29-20-9-2-3-10-21(20)30-16-23(28)24-18-8-6-7-17(15-18)19-11-12-22(26-25-19)27-13-4-5-14-27/h2-3,6-12,15H,4-5,13-14,16H2,1H3,(H,24,28)
InChIKeyVWEBTUHFQVGHQI-UHFFFAOYSA-N
MW404.47 g/mol
LogP3.77
Rot. Bonds7

About 2-(2-methoxyphenoxy)-N-[3-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]acetamide

2-(2-methoxyphenoxy)-N-[3-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]acetamide (PubChem CID 43991643) has the molecular formula C23H24N4O3 and a molecular weight of 404.47 g/mol. Its IUPAC name is 2-(2-methoxyphenoxy)-N-[3-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(2-methoxyphenoxy)-N-[3-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]acetamide
PubChem CID43991643
Molecular FormulaC23H24N4O3
Molecular Weight404.47 g/mol
Exact Mass404.18
IUPAC Name2-(2-methoxyphenoxy)-N-[3-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]acetamide
SMILESCOc1ccccc1OCC(=O)Nc1cccc(-c2ccc(N3CCCC3)nn2)c1
InChIInChI=1S/C23H24N4O3/c1-29-20-9-2-3-10-21(20)30-16-23(28)24-18-8-6-7-17(15-18)19-11-12-22(26-25-19)27-13-4-5-14-27/h2-3,6-12,15H,4-5,13-14,16H2,1H3,(H,24,28)
InChIKeyVWEBTUHFQVGHQI-UHFFFAOYSA-N
XLogP3.77
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-methoxyphenoxy)-N-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]acetamide
CID 43991777
N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2-phenoxyacetamide
CID 8670390
2,6-dimethoxy-N-[3-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]benzamide
CID 7593239
N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2-(3,4-dimethylphenoxy)acetamide
CID 43991338
1-(2-methoxyphenyl)-3-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]urea
CID 43991819
2-(2-chlorophenoxy)-N-[3-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]acetamide
CID 43991488
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
2-(2-ethylphenoxy)-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]acetamide
CID 43991905
N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]-2-(2-propan-2-ylphenoxy)acetamide
CID 43991919
N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2-(4-chlorophenoxy)acetamide
CID 41077765
2-(2-methoxyphenoxy)-N-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]acetamide
CID 43992910

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenoxy)-N-[3-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]acetamide?
The IUPAC name of 2-(2-methoxyphenoxy)-N-[3-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]acetamide (CID 43991643) is 2-(2-methoxyphenoxy)-N-[3-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]acetamide.
What is the SMILES notation for 2-(2-methoxyphenoxy)-N-[3-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]acetamide?
The canonical SMILES for 2-(2-methoxyphenoxy)-N-[3-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]acetamide is COc1ccccc1OCC(=O)Nc1cccc(-c2ccc(N3CCCC3)nn2)c1.
What is the InChIKey of 2-(2-methoxyphenoxy)-N-[3-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]acetamide?
The InChIKey is VWEBTUHFQVGHQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O3/c1-29-20-9-2-3-10-21(20)30-16-23(28)24-18-8-6-7-17(15-18)19-11-12-22(26-25-19)27-13-4-5-14-27/h2-3,6-12,15H,4-5,13-14,16H2,1H3,(H,24,28).
What are the key properties of 2-(2-methoxyphenoxy)-N-[3-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]acetamide?
2-(2-methoxyphenoxy)-N-[3-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]acetamide has a molecular weight of 404.47 g/mol, XLogP of 3.77, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenoxy)-N-[3-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]acetamide is sourced from PubChem (CID 43991643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).