6-piperidin-1-yl-N-[2-(trifluoromethoxy)phenyl]pyridazine-3-carboxamide

C17H17F3N4O2 — CID 121027972

IUPAC6-piperidin-1-yl-N-[2-(trifluoromethoxy)phenyl]pyridazine-3-carboxamide
SMILESO=C(Nc1ccccc1OC(F)(F)F)c1ccc(N2CCCCC2)nn1
InChIInChI=1S/C17H17F3N4O2/c18-17(19,20)26-14-7-3-2-6-12(14)21-16(25)13-8-9-15(23-22-13)24-10-4-1-5-11-24/h2-3,6-9H,1,4-5,10-11H2,(H,21,25)
InChIKeyDWLZCKUDUJHZMC-UHFFFAOYSA-N
MW366.34 g/mol
LogP3.62
Rot. Bonds4

About 6-piperidin-1-yl-N-[2-(trifluoromethoxy)phenyl]pyridazine-3-carboxamide

6-piperidin-1-yl-N-[2-(trifluoromethoxy)phenyl]pyridazine-3-carboxamide (PubChem CID 121027972) has the molecular formula C17H17F3N4O2 and a molecular weight of 366.34 g/mol. Its IUPAC name is 6-piperidin-1-yl-N-[2-(trifluoromethoxy)phenyl]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-piperidin-1-yl-N-[2-(trifluoromethoxy)phenyl]pyridazine-3-carboxamide
PubChem CID121027972
Molecular FormulaC17H17F3N4O2
Molecular Weight366.34 g/mol
Exact Mass366.13
IUPAC Name6-piperidin-1-yl-N-[2-(trifluoromethoxy)phenyl]pyridazine-3-carboxamide
SMILESO=C(Nc1ccccc1OC(F)(F)F)c1ccc(N2CCCCC2)nn1
InChIInChI=1S/C17H17F3N4O2/c18-17(19,20)26-14-7-3-2-6-12(14)21-16(25)13-8-9-15(23-22-13)24-10-4-1-5-11-24/h2-3,6-9H,1,4-5,10-11H2,(H,21,25)
InChIKeyDWLZCKUDUJHZMC-UHFFFAOYSA-N
XLogP3.62
TPSA67.35 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 ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-piperidin-1-yl-N-[2-(trifluoromethoxy)phenyl]pyridazine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-piperidin-1-yl-N-[2-(trifluoromethoxy)phenyl]pyridazine-3-carboxamide?
The IUPAC name of 6-piperidin-1-yl-N-[2-(trifluoromethoxy)phenyl]pyridazine-3-carboxamide (CID 121027972) is 6-piperidin-1-yl-N-[2-(trifluoromethoxy)phenyl]pyridazine-3-carboxamide.
What is the SMILES notation for 6-piperidin-1-yl-N-[2-(trifluoromethoxy)phenyl]pyridazine-3-carboxamide?
The canonical SMILES for 6-piperidin-1-yl-N-[2-(trifluoromethoxy)phenyl]pyridazine-3-carboxamide is O=C(Nc1ccccc1OC(F)(F)F)c1ccc(N2CCCCC2)nn1.
What is the InChIKey of 6-piperidin-1-yl-N-[2-(trifluoromethoxy)phenyl]pyridazine-3-carboxamide?
The InChIKey is DWLZCKUDUJHZMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N4O2/c18-17(19,20)26-14-7-3-2-6-12(14)21-16(25)13-8-9-15(23-22-13)24-10-4-1-5-11-24/h2-3,6-9H,1,4-5,10-11H2,(H,21,25).
What are the key properties of 6-piperidin-1-yl-N-[2-(trifluoromethoxy)phenyl]pyridazine-3-carboxamide?
6-piperidin-1-yl-N-[2-(trifluoromethoxy)phenyl]pyridazine-3-carboxamide has a molecular weight of 366.34 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-piperidin-1-yl-N-[2-(trifluoromethoxy)phenyl]pyridazine-3-carboxamide is sourced from PubChem (CID 121027972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).