2,2,2-trifluoro-N-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]acetamide

C18H19F3N4O — CID 7593464

IUPAC2,2,2-trifluoro-N-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]acetamide
SMILESCC1CCN(c2ccc(-c3ccc(NC(=O)C(F)(F)F)cc3)nn2)CC1
InChIInChI=1S/C18H19F3N4O/c1-12-8-10-25(11-9-12)16-7-6-15(23-24-16)13-2-4-14(5-3-13)22-17(26)18(19,20)21/h2-7,12H,8-11H2,1H3,(H,22,26)
InChIKeyJCHMROOYYIHQCQ-UHFFFAOYSA-N
MW364.37 g/mol
LogP3.88
Rot. Bonds3

About 2,2,2-trifluoro-N-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]acetamide

2,2,2-trifluoro-N-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]acetamide (PubChem CID 7593464) has the molecular formula C18H19F3N4O and a molecular weight of 364.37 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]acetamide
PubChem CID7593464
Molecular FormulaC18H19F3N4O
Molecular Weight364.37 g/mol
Exact Mass364.15
IUPAC Name2,2,2-trifluoro-N-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]acetamide
SMILESCC1CCN(c2ccc(-c3ccc(NC(=O)C(F)(F)F)cc3)nn2)CC1
InChIInChI=1S/C18H19F3N4O/c1-12-8-10-25(11-9-12)16-7-6-15(23-24-16)13-2-4-14(5-3-13)22-17(26)18(19,20)21/h2-7,12H,8-11H2,1H3,(H,22,26)
InChIKeyJCHMROOYYIHQCQ-UHFFFAOYSA-N
XLogP3.88
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.37
LogP ≤ 53.88
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-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]acetamide (CID 7593464) is 2,2,2-trifluoro-N-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]acetamide is CC1CCN(c2ccc(-c3ccc(NC(=O)C(F)(F)F)cc3)nn2)CC1.
What is the InChIKey of 2,2,2-trifluoro-N-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]acetamide?
The InChIKey is JCHMROOYYIHQCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N4O/c1-12-8-10-25(11-9-12)16-7-6-15(23-24-16)13-2-4-14(5-3-13)22-17(26)18(19,20)21/h2-7,12H,8-11H2,1H3,(H,22,26).
What are the key properties of 2,2,2-trifluoro-N-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]acetamide?
2,2,2-trifluoro-N-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]acetamide has a molecular weight of 364.37 g/mol, XLogP of 3.88, 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-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]acetamide is sourced from PubChem (CID 7593464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).