6-(4-methylpiperidin-1-yl)-N-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide

C18H19F3N4O — CID 109113261

IUPAC6-(4-methylpiperidin-1-yl)-N-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
SMILESCC1CCN(c2ccc(C(=O)Nc3ccc(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)17(26)22-14-4-2-13(3-5-14)18(19,20)21/h2-7,12H,8-11H2,1H3,(H,22,26)
InChIKeyUUCRAHAJCGVMHL-UHFFFAOYSA-N
MW364.37 g/mol
LogP3.98
Rot. Bonds3

About 6-(4-methylpiperidin-1-yl)-N-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide

6-(4-methylpiperidin-1-yl)-N-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide (PubChem CID 109113261) has the molecular formula C18H19F3N4O and a molecular weight of 364.37 g/mol. Its IUPAC name is 6-(4-methylpiperidin-1-yl)-N-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(4-methylpiperidin-1-yl)-N-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
PubChem CID109113261
Molecular FormulaC18H19F3N4O
Molecular Weight364.37 g/mol
Exact Mass364.15
IUPAC Name6-(4-methylpiperidin-1-yl)-N-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
SMILESCC1CCN(c2ccc(C(=O)Nc3ccc(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)17(26)22-14-4-2-13(3-5-14)18(19,20)21/h2-7,12H,8-11H2,1H3,(H,22,26)
InChIKeyUUCRAHAJCGVMHL-UHFFFAOYSA-N
XLogP3.98
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 ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(4-methylpiperidin-1-yl)-N-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide?
The IUPAC name of 6-(4-methylpiperidin-1-yl)-N-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide (CID 109113261) is 6-(4-methylpiperidin-1-yl)-N-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide.
What is the SMILES notation for 6-(4-methylpiperidin-1-yl)-N-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide?
The canonical SMILES for 6-(4-methylpiperidin-1-yl)-N-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide is CC1CCN(c2ccc(C(=O)Nc3ccc(C(F)(F)F)cc3)nn2)CC1.
What is the InChIKey of 6-(4-methylpiperidin-1-yl)-N-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide?
The InChIKey is UUCRAHAJCGVMHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N4O/c1-12-8-10-25(11-9-12)16-7-6-15(23-24-16)17(26)22-14-4-2-13(3-5-14)18(19,20)21/h2-7,12H,8-11H2,1H3,(H,22,26).
What are the key properties of 6-(4-methylpiperidin-1-yl)-N-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide?
6-(4-methylpiperidin-1-yl)-N-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide has a molecular weight of 364.37 g/mol, XLogP of 3.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylpiperidin-1-yl)-N-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide is sourced from PubChem (CID 109113261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).