6-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]pyridazine-3-carboxamide

C17H17F3N4O2 — CID 46225425

IUPAC6-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]pyridazine-3-carboxamide
SMILESNC(=O)c1ccc(N2CCC(Oc3ccccc3C(F)(F)F)CC2)nn1
InChIInChI=1S/C17H17F3N4O2/c18-17(19,20)12-3-1-2-4-14(12)26-11-7-9-24(10-8-11)15-6-5-13(16(21)25)22-23-15/h1-6,11H,7-10H2,(H2,21,25)
InChIKeyJATMVNREUULHSO-UHFFFAOYSA-N
MW366.34 g/mol
LogP2.64
Rot. Bonds4

About 6-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]pyridazine-3-carboxamide

6-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]pyridazine-3-carboxamide (PubChem CID 46225425) has the molecular formula C17H17F3N4O2 and a molecular weight of 366.34 g/mol. Its IUPAC name is 6-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]pyridazine-3-carboxamide
PubChem CID46225425
Molecular FormulaC17H17F3N4O2
Molecular Weight366.34 g/mol
Exact Mass366.13
IUPAC Name6-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]pyridazine-3-carboxamide
SMILESNC(=O)c1ccc(N2CCC(Oc3ccccc3C(F)(F)F)CC2)nn1
InChIInChI=1S/C17H17F3N4O2/c18-17(19,20)12-3-1-2-4-14(12)26-11-7-9-24(10-8-11)15-6-5-13(16(21)25)22-23-15/h1-6,11H,7-10H2,(H2,21,25)
InChIKeyJATMVNREUULHSO-UHFFFAOYSA-N
XLogP2.64
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.34
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]pyridazine-3-carboxamide?
The IUPAC name of 6-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]pyridazine-3-carboxamide (CID 46225425) is 6-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]pyridazine-3-carboxamide.
What is the SMILES notation for 6-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]pyridazine-3-carboxamide?
The canonical SMILES for 6-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]pyridazine-3-carboxamide is NC(=O)c1ccc(N2CCC(Oc3ccccc3C(F)(F)F)CC2)nn1.
What is the InChIKey of 6-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]pyridazine-3-carboxamide?
The InChIKey is JATMVNREUULHSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N4O2/c18-17(19,20)12-3-1-2-4-14(12)26-11-7-9-24(10-8-11)15-6-5-13(16(21)25)22-23-15/h1-6,11H,7-10H2,(H2,21,25).
What are the key properties of 6-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]pyridazine-3-carboxamide?
6-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]pyridazine-3-carboxamide has a molecular weight of 366.34 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]pyridazine-3-carboxamide is sourced from PubChem (CID 46225425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).