N-[6-[2-(2-fluorophenyl)ethylamino]pyridazin-3-yl]-2-(4-methylphenyl)acetamide

C21H21FN4O — CID 113042536

IUPACN-[6-[2-(2-fluorophenyl)ethylamino]pyridazin-3-yl]-2-(4-methylphenyl)acetamide
SMILESCc1ccc(CC(=O)Nc2ccc(NCCc3ccccc3F)nn2)cc1
InChIInChI=1S/C21H21FN4O/c1-15-6-8-16(9-7-15)14-21(27)24-20-11-10-19(25-26-20)23-13-12-17-4-2-3-5-18(17)22/h2-11H,12-14H2,1H3,(H,23,25)(H,24,26,27)
InChIKeyOCWHUYGWXKDOLH-UHFFFAOYSA-N
MW364.42 g/mol
LogP3.76
Rot. Bonds7

About N-[6-[2-(2-fluorophenyl)ethylamino]pyridazin-3-yl]-2-(4-methylphenyl)acetamide

N-[6-[2-(2-fluorophenyl)ethylamino]pyridazin-3-yl]-2-(4-methylphenyl)acetamide (PubChem CID 113042536) has the molecular formula C21H21FN4O and a molecular weight of 364.42 g/mol. Its IUPAC name is N-[6-[2-(2-fluorophenyl)ethylamino]pyridazin-3-yl]-2-(4-methylphenyl)acetamide.

Molecular Properties

Compound NameN-[6-[2-(2-fluorophenyl)ethylamino]pyridazin-3-yl]-2-(4-methylphenyl)acetamide
PubChem CID113042536
Molecular FormulaC21H21FN4O
Molecular Weight364.42 g/mol
Exact Mass364.17
IUPAC NameN-[6-[2-(2-fluorophenyl)ethylamino]pyridazin-3-yl]-2-(4-methylphenyl)acetamide
SMILESCc1ccc(CC(=O)Nc2ccc(NCCc3ccccc3F)nn2)cc1
InChIInChI=1S/C21H21FN4O/c1-15-6-8-16(9-7-15)14-21(27)24-20-11-10-19(25-26-20)23-13-12-17-4-2-3-5-18(17)22/h2-11H,12-14H2,1H3,(H,23,25)(H,24,26,27)
InChIKeyOCWHUYGWXKDOLH-UHFFFAOYSA-N
XLogP3.76
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.42
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-fluorophenyl)ethyl]-6-methylpyridazin-3-amine
CID 61311370
2-(2-fluorophenyl)-N-[6-(3-phenylpropylamino)pyridazin-3-yl]acetamide
CID 113044121
2-(2-fluorophenyl)-N-[6-(2-methoxyethylamino)pyridazin-3-yl]acetamide
CID 113039450
3,4-difluoro-N-[6-[2-(2-fluorophenyl)ethylamino]pyridazin-3-yl]benzamide
CID 113042530
2-(4-chlorophenyl)-N-[5-[2-(2-fluorophenyl)ethylamino]-2-pyridinyl]acetamide
CID 113028195
2-(2-fluorophenyl)-N-[6-[(4-methoxyphenyl)methylamino]pyridazin-3-yl]acetamide
CID 113041787
N-[6-[3-(dimethylamino)propylamino]pyridazin-3-yl]-2-(4-methylphenyl)acetamide
CID 113040148
2-(4-fluorophenyl)-N-[6-(propylamino)pyridazin-3-yl]acetamide
CID 113037819
6-[2-(4-chlorophenyl)ethylamino]-N-[2-(2-fluorophenyl)ethyl]pyridazine-3-carboxamide
CID 109121995
3-chloro-N-[6-[2-(2-fluorophenyl)ethylamino]pyridazin-3-yl]benzamide
CID 113042523
N-(2,3-dimethylphenyl)-6-[2-(2-fluorophenyl)ethylamino]pyridazine-3-carboxamide
CID 109121945
N-[2-(2-fluorophenyl)ethyl]-N'-[(4-methylphenyl)methyl]propanediamide
CID 108945715

Frequently Asked Questions

What is the IUPAC name of N-[6-[2-(2-fluorophenyl)ethylamino]pyridazin-3-yl]-2-(4-methylphenyl)acetamide?
The IUPAC name of N-[6-[2-(2-fluorophenyl)ethylamino]pyridazin-3-yl]-2-(4-methylphenyl)acetamide (CID 113042536) is N-[6-[2-(2-fluorophenyl)ethylamino]pyridazin-3-yl]-2-(4-methylphenyl)acetamide.
What is the SMILES notation for N-[6-[2-(2-fluorophenyl)ethylamino]pyridazin-3-yl]-2-(4-methylphenyl)acetamide?
The canonical SMILES for N-[6-[2-(2-fluorophenyl)ethylamino]pyridazin-3-yl]-2-(4-methylphenyl)acetamide is Cc1ccc(CC(=O)Nc2ccc(NCCc3ccccc3F)nn2)cc1.
What is the InChIKey of N-[6-[2-(2-fluorophenyl)ethylamino]pyridazin-3-yl]-2-(4-methylphenyl)acetamide?
The InChIKey is OCWHUYGWXKDOLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O/c1-15-6-8-16(9-7-15)14-21(27)24-20-11-10-19(25-26-20)23-13-12-17-4-2-3-5-18(17)22/h2-11H,12-14H2,1H3,(H,23,25)(H,24,26,27).
What are the key properties of N-[6-[2-(2-fluorophenyl)ethylamino]pyridazin-3-yl]-2-(4-methylphenyl)acetamide?
N-[6-[2-(2-fluorophenyl)ethylamino]pyridazin-3-yl]-2-(4-methylphenyl)acetamide has a molecular weight of 364.42 g/mol, XLogP of 3.76, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[2-(2-fluorophenyl)ethylamino]pyridazin-3-yl]-2-(4-methylphenyl)acetamide is sourced from PubChem (CID 113042536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).