N-(3-fluorophenyl)-2-[3-(5-methylthiophen-2-yl)-6-oxopyridazin-1-yl]acetamide

C17H14FN3O2S — CID 51100644

IUPACN-(3-fluorophenyl)-2-[3-(5-methylthiophen-2-yl)-6-oxopyridazin-1-yl]acetamide
SMILESCc1ccc(-c2ccc(=O)n(CC(=O)Nc3cccc(F)c3)n2)s1
InChIInChI=1S/C17H14FN3O2S/c1-11-5-7-15(24-11)14-6-8-17(23)21(20-14)10-16(22)19-13-4-2-3-12(18)9-13/h2-9H,10H2,1H3,(H,19,22)
InChIKeyHFUGWCUKYLYUOL-UHFFFAOYSA-N
MW343.38 g/mol
LogP3.06
Rot. Bonds4

About N-(3-fluorophenyl)-2-[3-(5-methylthiophen-2-yl)-6-oxopyridazin-1-yl]acetamide

N-(3-fluorophenyl)-2-[3-(5-methylthiophen-2-yl)-6-oxopyridazin-1-yl]acetamide (PubChem CID 51100644) has the molecular formula C17H14FN3O2S and a molecular weight of 343.38 g/mol. Its IUPAC name is N-(3-fluorophenyl)-2-[3-(5-methylthiophen-2-yl)-6-oxopyridazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-2-[3-(5-methylthiophen-2-yl)-6-oxopyridazin-1-yl]acetamide
PubChem CID51100644
Molecular FormulaC17H14FN3O2S
Molecular Weight343.38 g/mol
Exact Mass343.08
IUPAC NameN-(3-fluorophenyl)-2-[3-(5-methylthiophen-2-yl)-6-oxopyridazin-1-yl]acetamide
SMILESCc1ccc(-c2ccc(=O)n(CC(=O)Nc3cccc(F)c3)n2)s1
InChIInChI=1S/C17H14FN3O2S/c1-11-5-7-15(24-11)14-6-8-17(23)21(20-14)10-16(22)19-13-4-2-3-12(18)9-13/h2-9H,10H2,1H3,(H,19,22)
InChIKeyHFUGWCUKYLYUOL-UHFFFAOYSA-N
XLogP3.06
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-2-[3-(5-methylthiophen-2-yl)-6-oxopyridazin-1-yl]acetamide?
The IUPAC name of N-(3-fluorophenyl)-2-[3-(5-methylthiophen-2-yl)-6-oxopyridazin-1-yl]acetamide (CID 51100644) is N-(3-fluorophenyl)-2-[3-(5-methylthiophen-2-yl)-6-oxopyridazin-1-yl]acetamide.
What is the SMILES notation for N-(3-fluorophenyl)-2-[3-(5-methylthiophen-2-yl)-6-oxopyridazin-1-yl]acetamide?
The canonical SMILES for N-(3-fluorophenyl)-2-[3-(5-methylthiophen-2-yl)-6-oxopyridazin-1-yl]acetamide is Cc1ccc(-c2ccc(=O)n(CC(=O)Nc3cccc(F)c3)n2)s1.
What is the InChIKey of N-(3-fluorophenyl)-2-[3-(5-methylthiophen-2-yl)-6-oxopyridazin-1-yl]acetamide?
The InChIKey is HFUGWCUKYLYUOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3O2S/c1-11-5-7-15(24-11)14-6-8-17(23)21(20-14)10-16(22)19-13-4-2-3-12(18)9-13/h2-9H,10H2,1H3,(H,19,22).
What are the key properties of N-(3-fluorophenyl)-2-[3-(5-methylthiophen-2-yl)-6-oxopyridazin-1-yl]acetamide?
N-(3-fluorophenyl)-2-[3-(5-methylthiophen-2-yl)-6-oxopyridazin-1-yl]acetamide has a molecular weight of 343.38 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-2-[3-(5-methylthiophen-2-yl)-6-oxopyridazin-1-yl]acetamide is sourced from PubChem (CID 51100644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).