3-oxo-2-pyridin-3-yl-6-[4-(trifluoromethoxy)phenyl]pyridazine-4-carboxamide

C17H11F3N4O3 — CID 142411072

IUPAC3-oxo-2-pyridin-3-yl-6-[4-(trifluoromethoxy)phenyl]pyridazine-4-carboxamide
SMILESNC(=O)c1cc(-c2ccc(OC(F)(F)F)cc2)nn(-c2cccnc2)c1=O
InChIInChI=1S/C17H11F3N4O3/c18-17(19,20)27-12-5-3-10(4-6-12)14-8-13(15(21)25)16(26)24(23-14)11-2-1-7-22-9-11/h1-9H,(H2,21,25)
InChIKeyOIAHSZIFCQSXPS-UHFFFAOYSA-N
MW376.29 g/mol
LogP2.29
Rot. Bonds4

About 3-oxo-2-pyridin-3-yl-6-[4-(trifluoromethoxy)phenyl]pyridazine-4-carboxamide

3-oxo-2-pyridin-3-yl-6-[4-(trifluoromethoxy)phenyl]pyridazine-4-carboxamide (PubChem CID 142411072) has the molecular formula C17H11F3N4O3 and a molecular weight of 376.29 g/mol. Its IUPAC name is 3-oxo-2-pyridin-3-yl-6-[4-(trifluoromethoxy)phenyl]pyridazine-4-carboxamide.

Molecular Properties

Compound Name3-oxo-2-pyridin-3-yl-6-[4-(trifluoromethoxy)phenyl]pyridazine-4-carboxamide
PubChem CID142411072
Molecular FormulaC17H11F3N4O3
Molecular Weight376.29 g/mol
Exact Mass376.08
IUPAC Name3-oxo-2-pyridin-3-yl-6-[4-(trifluoromethoxy)phenyl]pyridazine-4-carboxamide
SMILESNC(=O)c1cc(-c2ccc(OC(F)(F)F)cc2)nn(-c2cccnc2)c1=O
InChIInChI=1S/C17H11F3N4O3/c18-17(19,20)27-12-5-3-10(4-6-12)14-8-13(15(21)25)16(26)24(23-14)11-2-1-7-22-9-11/h1-9H,(H2,21,25)
InChIKeyOIAHSZIFCQSXPS-UHFFFAOYSA-N
XLogP2.29
TPSA100.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.29
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-oxo-2-pyridin-3-yl-6-[4-(trifluoromethoxy)phenyl]pyridazine-4-carboxamide?
The IUPAC name of 3-oxo-2-pyridin-3-yl-6-[4-(trifluoromethoxy)phenyl]pyridazine-4-carboxamide (CID 142411072) is 3-oxo-2-pyridin-3-yl-6-[4-(trifluoromethoxy)phenyl]pyridazine-4-carboxamide.
What is the SMILES notation for 3-oxo-2-pyridin-3-yl-6-[4-(trifluoromethoxy)phenyl]pyridazine-4-carboxamide?
The canonical SMILES for 3-oxo-2-pyridin-3-yl-6-[4-(trifluoromethoxy)phenyl]pyridazine-4-carboxamide is NC(=O)c1cc(-c2ccc(OC(F)(F)F)cc2)nn(-c2cccnc2)c1=O.
What is the InChIKey of 3-oxo-2-pyridin-3-yl-6-[4-(trifluoromethoxy)phenyl]pyridazine-4-carboxamide?
The InChIKey is OIAHSZIFCQSXPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F3N4O3/c18-17(19,20)27-12-5-3-10(4-6-12)14-8-13(15(21)25)16(26)24(23-14)11-2-1-7-22-9-11/h1-9H,(H2,21,25).
What are the key properties of 3-oxo-2-pyridin-3-yl-6-[4-(trifluoromethoxy)phenyl]pyridazine-4-carboxamide?
3-oxo-2-pyridin-3-yl-6-[4-(trifluoromethoxy)phenyl]pyridazine-4-carboxamide has a molecular weight of 376.29 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-2-pyridin-3-yl-6-[4-(trifluoromethoxy)phenyl]pyridazine-4-carboxamide is sourced from PubChem (CID 142411072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).