1-benzyl-N-ethyl-6-oxo-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]pyridazine-3-carboxamide

C23H21F3N4O3 — CID 24686914

IUPAC1-benzyl-N-ethyl-6-oxo-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]pyridazine-3-carboxamide
SMILESCCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)c1ccc(=O)n(Cc2ccccc2)n1
InChIInChI=1S/C23H21F3N4O3/c1-2-29(15-20(31)27-18-11-7-6-10-17(18)23(24,25)26)22(33)19-12-13-21(32)30(28-19)14-16-8-4-3-5-9-16/h3-13H,2,14-15H2,1H3,(H,27,31)
InChIKeyYZXFXOCVUTUBLE-UHFFFAOYSA-N
MW458.44 g/mol
LogP3.41
Rot. Bonds7

About 1-benzyl-N-ethyl-6-oxo-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]pyridazine-3-carboxamide

1-benzyl-N-ethyl-6-oxo-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]pyridazine-3-carboxamide (PubChem CID 24686914) has the molecular formula C23H21F3N4O3 and a molecular weight of 458.44 g/mol. Its IUPAC name is 1-benzyl-N-ethyl-6-oxo-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]pyridazine-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-ethyl-6-oxo-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]pyridazine-3-carboxamide
PubChem CID24686914
Molecular FormulaC23H21F3N4O3
Molecular Weight458.44 g/mol
Exact Mass458.16
IUPAC Name1-benzyl-N-ethyl-6-oxo-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]pyridazine-3-carboxamide
SMILESCCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)c1ccc(=O)n(Cc2ccccc2)n1
InChIInChI=1S/C23H21F3N4O3/c1-2-29(15-20(31)27-18-11-7-6-10-17(18)23(24,25)26)22(33)19-12-13-21(32)30(28-19)14-16-8-4-3-5-9-16/h3-13H,2,14-15H2,1H3,(H,27,31)
InChIKeyYZXFXOCVUTUBLE-UHFFFAOYSA-N
XLogP3.41
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.44
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-ethyl-6-oxo-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]pyridazine-3-carboxamide?
The IUPAC name of 1-benzyl-N-ethyl-6-oxo-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]pyridazine-3-carboxamide (CID 24686914) is 1-benzyl-N-ethyl-6-oxo-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]pyridazine-3-carboxamide.
What is the SMILES notation for 1-benzyl-N-ethyl-6-oxo-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]pyridazine-3-carboxamide?
The canonical SMILES for 1-benzyl-N-ethyl-6-oxo-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]pyridazine-3-carboxamide is CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)c1ccc(=O)n(Cc2ccccc2)n1.
What is the InChIKey of 1-benzyl-N-ethyl-6-oxo-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]pyridazine-3-carboxamide?
The InChIKey is YZXFXOCVUTUBLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F3N4O3/c1-2-29(15-20(31)27-18-11-7-6-10-17(18)23(24,25)26)22(33)19-12-13-21(32)30(28-19)14-16-8-4-3-5-9-16/h3-13H,2,14-15H2,1H3,(H,27,31).
What are the key properties of 1-benzyl-N-ethyl-6-oxo-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]pyridazine-3-carboxamide?
1-benzyl-N-ethyl-6-oxo-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]pyridazine-3-carboxamide has a molecular weight of 458.44 g/mol, XLogP of 3.41, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-ethyl-6-oxo-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]pyridazine-3-carboxamide is sourced from PubChem (CID 24686914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).