2-(4-fluorophenoxy)-N-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]acetamide

C22H21FN4O2 — CID 43992502

IUPAC2-(4-fluorophenoxy)-N-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]acetamide
SMILESO=C(COc1ccc(F)cc1)Nc1ccc(-c2ccc(N3CCCC3)nn2)cc1
InChIInChI=1S/C22H21FN4O2/c23-17-5-9-19(10-6-17)29-15-22(28)24-18-7-3-16(4-8-18)20-11-12-21(26-25-20)27-13-1-2-14-27/h3-12H,1-2,13-15H2,(H,24,28)
InChIKeyMPPIXNQCYZXUDX-UHFFFAOYSA-N
MW392.43 g/mol
LogP3.90
Rot. Bonds6

About 2-(4-fluorophenoxy)-N-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]acetamide

2-(4-fluorophenoxy)-N-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]acetamide (PubChem CID 43992502) has the molecular formula C22H21FN4O2 and a molecular weight of 392.43 g/mol. Its IUPAC name is 2-(4-fluorophenoxy)-N-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenoxy)-N-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]acetamide
PubChem CID43992502
Molecular FormulaC22H21FN4O2
Molecular Weight392.43 g/mol
Exact Mass392.16
IUPAC Name2-(4-fluorophenoxy)-N-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]acetamide
SMILESO=C(COc1ccc(F)cc1)Nc1ccc(-c2ccc(N3CCCC3)nn2)cc1
InChIInChI=1S/C22H21FN4O2/c23-17-5-9-19(10-6-17)29-15-22(28)24-18-7-3-16(4-8-18)20-11-12-21(26-25-20)27-13-1-2-14-27/h3-12H,1-2,13-15H2,(H,24,28)
InChIKeyMPPIXNQCYZXUDX-UHFFFAOYSA-N
XLogP3.90
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.43
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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-fluorophenyl)-N-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]acetamide
CID 7593264
2-(3,4-dimethylphenoxy)-N-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]acetamide
CID 43992474
N-[4-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2-(3,5-dimethoxyphenoxy)acetamide
CID 43992220
2-(4-acetamidophenoxy)-N-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]acetamide
CID 43992887
N-[4-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2-(1,3-benzodioxol-5-yloxy)acetamide
CID 43992237
2-(4-methylphenoxy)-N-[4-(6-morpholin-4-ylpyridazin-3-yl)phenyl]acetamide
CID 43992749
2-(4-acetamidophenoxy)-N-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]acetamide
CID 43991753
2-(2,3-dimethylphenoxy)-N-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]acetamide
CID 43992490
2-[3-(diethylamino)phenoxy]-N-[4-(6-piperidin-1-ylpyridazin-3-yl)phenyl]acetamide
CID 43992622
2-(2-cyanophenoxy)-N-[4-(6-piperidin-1-ylpyridazin-3-yl)phenyl]acetamide
CID 43992610

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenoxy)-N-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]acetamide?
The IUPAC name of 2-(4-fluorophenoxy)-N-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]acetamide (CID 43992502) is 2-(4-fluorophenoxy)-N-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]acetamide.
What is the SMILES notation for 2-(4-fluorophenoxy)-N-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]acetamide?
The canonical SMILES for 2-(4-fluorophenoxy)-N-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]acetamide is O=C(COc1ccc(F)cc1)Nc1ccc(-c2ccc(N3CCCC3)nn2)cc1.
What is the InChIKey of 2-(4-fluorophenoxy)-N-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]acetamide?
The InChIKey is MPPIXNQCYZXUDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN4O2/c23-17-5-9-19(10-6-17)29-15-22(28)24-18-7-3-16(4-8-18)20-11-12-21(26-25-20)27-13-1-2-14-27/h3-12H,1-2,13-15H2,(H,24,28).
What are the key properties of 2-(4-fluorophenoxy)-N-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]acetamide?
2-(4-fluorophenoxy)-N-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]acetamide has a molecular weight of 392.43 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenoxy)-N-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]acetamide is sourced from PubChem (CID 43992502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).