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

C22H21FN4O — CID 7593264

IUPAC2-(4-fluorophenyl)-N-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]acetamide
SMILESO=C(Cc1ccc(F)cc1)Nc1ccc(-c2ccc(N3CCCC3)nn2)cc1
InChIInChI=1S/C22H21FN4O/c23-18-7-3-16(4-8-18)15-22(28)24-19-9-5-17(6-10-19)20-11-12-21(26-25-20)27-13-1-2-14-27/h3-12H,1-2,13-15H2,(H,24,28)
InChIKeyXTNHEVPOIXMDPT-UHFFFAOYSA-N
MW376.44 g/mol
LogP4.06
Rot. Bonds5

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

2-(4-fluorophenyl)-N-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]acetamide (PubChem CID 7593264) has the molecular formula C22H21FN4O and a molecular weight of 376.44 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]acetamide
PubChem CID7593264
Molecular FormulaC22H21FN4O
Molecular Weight376.44 g/mol
Exact Mass376.17
IUPAC Name2-(4-fluorophenyl)-N-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]acetamide
SMILESO=C(Cc1ccc(F)cc1)Nc1ccc(-c2ccc(N3CCCC3)nn2)cc1
InChIInChI=1S/C22H21FN4O/c23-18-7-3-16(4-8-18)15-22(28)24-19-9-5-17(6-10-19)20-11-12-21(26-25-20)27-13-1-2-14-27/h3-12H,1-2,13-15H2,(H,24,28)
InChIKeyXTNHEVPOIXMDPT-UHFFFAOYSA-N
XLogP4.06
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.44
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-fluorophenoxy)-N-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]acetamide
CID 43992502
N-[4-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2-(4-propan-2-ylsulfanylphenyl)acetamide
CID 121046287
N-[4-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2-naphthalen-1-ylacetamide
CID 43992248
2-(4-fluorophenyl)-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]acetamide
CID 7422439
N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2-(4-methylphenyl)acetamide
CID 43991392
2-(4-ethylphenoxy)-N-[4-(6-piperidin-1-ylpyridazin-3-yl)phenyl]acetamide
CID 43992634
1-phenyl-3-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]urea
CID 43992543
2-fluoro-N-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]benzamide
CID 7593284
1-(4-methylphenyl)-3-[4-(6-piperidin-1-ylpyridazin-3-yl)phenyl]urea
CID 43992694
2-(4-fluorophenyl)-N-[4-(6-methylsulfonylpyridazin-3-yl)phenyl]acetamide
CID 41213086
2-(2,3-dimethylphenoxy)-N-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]acetamide
CID 43992490
2-(2-chlorophenyl)-N-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]acetamide
CID 43992928

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]acetamide?
The IUPAC name of 2-(4-fluorophenyl)-N-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]acetamide (CID 7593264) is 2-(4-fluorophenyl)-N-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]acetamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]acetamide is O=C(Cc1ccc(F)cc1)Nc1ccc(-c2ccc(N3CCCC3)nn2)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-N-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]acetamide?
The InChIKey is XTNHEVPOIXMDPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN4O/c23-18-7-3-16(4-8-18)15-22(28)24-19-9-5-17(6-10-19)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-fluorophenyl)-N-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]acetamide?
2-(4-fluorophenyl)-N-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]acetamide has a molecular weight of 376.44 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]acetamide is sourced from PubChem (CID 7593264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).