4-methoxy-6-oxo-1-phenyl-N-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide

C19H14F3N3O3 — CID 8553751

IUPAC4-methoxy-6-oxo-1-phenyl-N-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
SMILESCOc1cc(=O)n(-c2ccccc2)nc1C(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H14F3N3O3/c1-28-15-11-16(26)25(14-5-3-2-4-6-14)24-17(15)18(27)23-13-9-7-12(8-10-13)19(20,21)22/h2-11H,1H3,(H,23,27)
InChIKeyPUXGUBMWTTZNTM-UHFFFAOYSA-N
MW389.33 g/mol
LogP3.51
Rot. Bonds4

About 4-methoxy-6-oxo-1-phenyl-N-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide

4-methoxy-6-oxo-1-phenyl-N-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide (PubChem CID 8553751) has the molecular formula C19H14F3N3O3 and a molecular weight of 389.33 g/mol. Its IUPAC name is 4-methoxy-6-oxo-1-phenyl-N-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide.

Molecular Properties

Compound Name4-methoxy-6-oxo-1-phenyl-N-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
PubChem CID8553751
Molecular FormulaC19H14F3N3O3
Molecular Weight389.33 g/mol
Exact Mass389.10
IUPAC Name4-methoxy-6-oxo-1-phenyl-N-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
SMILESCOc1cc(=O)n(-c2ccccc2)nc1C(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H14F3N3O3/c1-28-15-11-16(26)25(14-5-3-2-4-6-14)24-17(15)18(27)23-13-9-7-12(8-10-13)19(20,21)22/h2-11H,1H3,(H,23,27)
InChIKeyPUXGUBMWTTZNTM-UHFFFAOYSA-N
XLogP3.51
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.33
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-6-oxo-1-phenyl-N-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide?
The IUPAC name of 4-methoxy-6-oxo-1-phenyl-N-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide (CID 8553751) is 4-methoxy-6-oxo-1-phenyl-N-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide.
What is the SMILES notation for 4-methoxy-6-oxo-1-phenyl-N-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide?
The canonical SMILES for 4-methoxy-6-oxo-1-phenyl-N-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide is COc1cc(=O)n(-c2ccccc2)nc1C(=O)Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 4-methoxy-6-oxo-1-phenyl-N-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide?
The InChIKey is PUXGUBMWTTZNTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3N3O3/c1-28-15-11-16(26)25(14-5-3-2-4-6-14)24-17(15)18(27)23-13-9-7-12(8-10-13)19(20,21)22/h2-11H,1H3,(H,23,27).
What are the key properties of 4-methoxy-6-oxo-1-phenyl-N-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide?
4-methoxy-6-oxo-1-phenyl-N-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide has a molecular weight of 389.33 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-6-oxo-1-phenyl-N-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide is sourced from PubChem (CID 8553751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).