2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-(oxolan-2-ylmethyl)acetamide

C17H18FN3O3 — CID 18584222

IUPAC2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-(oxolan-2-ylmethyl)acetamide
SMILESO=C(Cn1nc(-c2ccc(F)cc2)ccc1=O)NCC1CCCO1
InChIInChI=1S/C17H18FN3O3/c18-13-5-3-12(4-6-13)15-7-8-17(23)21(20-15)11-16(22)19-10-14-2-1-9-24-14/h3-8,14H,1-2,9-11H2,(H,19,22)
InChIKeyIDJXMONIOKZMFH-UHFFFAOYSA-N
MW331.35 g/mol
LogP1.34
Rot. Bonds5

About 2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-(oxolan-2-ylmethyl)acetamide

2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 18584222) has the molecular formula C17H18FN3O3 and a molecular weight of 331.35 g/mol. Its IUPAC name is 2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-(oxolan-2-ylmethyl)acetamide
PubChem CID18584222
Molecular FormulaC17H18FN3O3
Molecular Weight331.35 g/mol
Exact Mass331.13
IUPAC Name2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-(oxolan-2-ylmethyl)acetamide
SMILESO=C(Cn1nc(-c2ccc(F)cc2)ccc1=O)NCC1CCCO1
InChIInChI=1S/C17H18FN3O3/c18-13-5-3-12(4-6-13)15-7-8-17(23)21(20-15)11-16(22)19-10-14-2-1-9-24-14/h3-8,14H,1-2,9-11H2,(H,19,22)
InChIKeyIDJXMONIOKZMFH-UHFFFAOYSA-N
XLogP1.34
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.35
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of 2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-(oxolan-2-ylmethyl)acetamide (CID 18584222) is 2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-(oxolan-2-ylmethyl)acetamide is O=C(Cn1nc(-c2ccc(F)cc2)ccc1=O)NCC1CCCO1.
What is the InChIKey of 2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is IDJXMONIOKZMFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O3/c18-13-5-3-12(4-6-13)15-7-8-17(23)21(20-15)11-16(22)19-10-14-2-1-9-24-14/h3-8,14H,1-2,9-11H2,(H,19,22).
What are the key properties of 2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-(oxolan-2-ylmethyl)acetamide?
2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 331.35 g/mol, XLogP of 1.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 18584222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).