2,2,2-trifluoro-N-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]acetamide

C17H17F3N4O — CID 7422381

IUPAC2,2,2-trifluoro-N-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]acetamide
SMILESO=C(Nc1cccc(-c2ccc(N3CCCCC3)nn2)c1)C(F)(F)F
InChIInChI=1S/C17H17F3N4O/c18-17(19,20)16(25)21-13-6-4-5-12(11-13)14-7-8-15(23-22-14)24-9-2-1-3-10-24/h4-8,11H,1-3,9-10H2,(H,21,25)
InChIKeyZWFPLZCOFDXTTA-UHFFFAOYSA-N
MW350.34 g/mol
LogP3.63
Rot. Bonds3

About 2,2,2-trifluoro-N-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]acetamide

2,2,2-trifluoro-N-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]acetamide (PubChem CID 7422381) has the molecular formula C17H17F3N4O and a molecular weight of 350.34 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]acetamide
PubChem CID7422381
Molecular FormulaC17H17F3N4O
Molecular Weight350.34 g/mol
Exact Mass350.14
IUPAC Name2,2,2-trifluoro-N-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]acetamide
SMILESO=C(Nc1cccc(-c2ccc(N3CCCCC3)nn2)c1)C(F)(F)F
InChIInChI=1S/C17H17F3N4O/c18-17(19,20)16(25)21-13-6-4-5-12(11-13)14-7-8-15(23-22-14)24-9-2-1-3-10-24/h4-8,11H,1-3,9-10H2,(H,21,25)
InChIKeyZWFPLZCOFDXTTA-UHFFFAOYSA-N
XLogP3.63
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.34
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]acetamide (CID 7422381) is 2,2,2-trifluoro-N-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]acetamide is O=C(Nc1cccc(-c2ccc(N3CCCCC3)nn2)c1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]acetamide?
The InChIKey is ZWFPLZCOFDXTTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N4O/c18-17(19,20)16(25)21-13-6-4-5-12(11-13)14-7-8-15(23-22-14)24-9-2-1-3-10-24/h4-8,11H,1-3,9-10H2,(H,21,25).
What are the key properties of 2,2,2-trifluoro-N-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]acetamide?
2,2,2-trifluoro-N-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]acetamide has a molecular weight of 350.34 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]acetamide is sourced from PubChem (CID 7422381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).