6-oxo-1-(2-phenoxyethyl)-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]pyridazine-3-carboxamide

C22H20F3N3O4 — CID 55712129

IUPAC6-oxo-1-(2-phenoxyethyl)-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]pyridazine-3-carboxamide
SMILESO=C(NCc1cccc(OCC(F)(F)F)c1)c1ccc(=O)n(CCOc2ccccc2)n1
InChIInChI=1S/C22H20F3N3O4/c23-22(24,25)15-32-18-8-4-5-16(13-18)14-26-21(30)19-9-10-20(29)28(27-19)11-12-31-17-6-2-1-3-7-17/h1-10,13H,11-12,14-15H2,(H,26,30)
InChIKeyFXGVFKRYHWSRKK-UHFFFAOYSA-N
MW447.41 g/mol
LogP3.19
Rot. Bonds9

About 6-oxo-1-(2-phenoxyethyl)-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]pyridazine-3-carboxamide

6-oxo-1-(2-phenoxyethyl)-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]pyridazine-3-carboxamide (PubChem CID 55712129) has the molecular formula C22H20F3N3O4 and a molecular weight of 447.41 g/mol. Its IUPAC name is 6-oxo-1-(2-phenoxyethyl)-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-oxo-1-(2-phenoxyethyl)-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]pyridazine-3-carboxamide
PubChem CID55712129
Molecular FormulaC22H20F3N3O4
Molecular Weight447.41 g/mol
Exact Mass447.14
IUPAC Name6-oxo-1-(2-phenoxyethyl)-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]pyridazine-3-carboxamide
SMILESO=C(NCc1cccc(OCC(F)(F)F)c1)c1ccc(=O)n(CCOc2ccccc2)n1
InChIInChI=1S/C22H20F3N3O4/c23-22(24,25)15-32-18-8-4-5-16(13-18)14-26-21(30)19-9-10-20(29)28(27-19)11-12-31-17-6-2-1-3-7-17/h1-10,13H,11-12,14-15H2,(H,26,30)
InChIKeyFXGVFKRYHWSRKK-UHFFFAOYSA-N
XLogP3.19
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.41
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3-butoxyphenyl)methyl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 55749505
6-oxo-1-propyl-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyridazine-3-carboxamide
CID 30293285
N-(2-methoxyethyl)-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 35811130
6-oxo-1-(2-phenoxyethyl)-N-(thiophen-2-ylmethyl)pyridazine-3-carboxamide
CID 32983278
6-oxo-1-(2-phenoxyethyl)-N-[(2,4,5-trimethoxyphenyl)methyl]pyridazine-3-carboxamide
CID 17490743
N-[(2-methoxy-3-pyridinyl)methyl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 38535069
N-tert-butyl-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 30780750
1-(2-methoxyethyl)-6-oxo-N-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 32934057
6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxylic acid
CID 7131845
N-nonyl-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 46549927
N-(1-benzyl-1,2,4-triazol-3-yl)-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 55855876
N-tert-butyl-N-methyl-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 167941403

Frequently Asked Questions

What is the IUPAC name of 6-oxo-1-(2-phenoxyethyl)-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]pyridazine-3-carboxamide?
The IUPAC name of 6-oxo-1-(2-phenoxyethyl)-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]pyridazine-3-carboxamide (CID 55712129) is 6-oxo-1-(2-phenoxyethyl)-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]pyridazine-3-carboxamide.
What is the SMILES notation for 6-oxo-1-(2-phenoxyethyl)-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]pyridazine-3-carboxamide?
The canonical SMILES for 6-oxo-1-(2-phenoxyethyl)-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]pyridazine-3-carboxamide is O=C(NCc1cccc(OCC(F)(F)F)c1)c1ccc(=O)n(CCOc2ccccc2)n1.
What is the InChIKey of 6-oxo-1-(2-phenoxyethyl)-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]pyridazine-3-carboxamide?
The InChIKey is FXGVFKRYHWSRKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F3N3O4/c23-22(24,25)15-32-18-8-4-5-16(13-18)14-26-21(30)19-9-10-20(29)28(27-19)11-12-31-17-6-2-1-3-7-17/h1-10,13H,11-12,14-15H2,(H,26,30).
What are the key properties of 6-oxo-1-(2-phenoxyethyl)-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]pyridazine-3-carboxamide?
6-oxo-1-(2-phenoxyethyl)-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]pyridazine-3-carboxamide has a molecular weight of 447.41 g/mol, XLogP of 3.19, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-1-(2-phenoxyethyl)-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]pyridazine-3-carboxamide is sourced from PubChem (CID 55712129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).