2-oxo-N-phenyl-2-[4-[[3-(trifluoromethyl)phenyl]methoxyamino]-3,6-dihydro-2H-pyridin-1-yl]acetamide

C21H20F3N3O3 — CID 91475346

IUPAC2-oxo-N-phenyl-2-[4-[[3-(trifluoromethyl)phenyl]methoxyamino]-3,6-dihydro-2H-pyridin-1-yl]acetamide
SMILESO=C(Nc1ccccc1)C(=O)N1CC=C(NOCc2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C21H20F3N3O3/c22-21(23,24)16-6-4-5-15(13-16)14-30-26-18-9-11-27(12-10-18)20(29)19(28)25-17-7-2-1-3-8-17/h1-9,13,26H,10-12,14H2,(H,25,28)
InChIKeySKAWNPTXCJFNST-UHFFFAOYSA-N
MW419.40 g/mol
LogP3.48
Rot. Bonds5

About 2-oxo-N-phenyl-2-[4-[[3-(trifluoromethyl)phenyl]methoxyamino]-3,6-dihydro-2H-pyridin-1-yl]acetamide

2-oxo-N-phenyl-2-[4-[[3-(trifluoromethyl)phenyl]methoxyamino]-3,6-dihydro-2H-pyridin-1-yl]acetamide (PubChem CID 91475346) has the molecular formula C21H20F3N3O3 and a molecular weight of 419.40 g/mol. Its IUPAC name is 2-oxo-N-phenyl-2-[4-[[3-(trifluoromethyl)phenyl]methoxyamino]-3,6-dihydro-2H-pyridin-1-yl]acetamide.

Molecular Properties

Compound Name2-oxo-N-phenyl-2-[4-[[3-(trifluoromethyl)phenyl]methoxyamino]-3,6-dihydro-2H-pyridin-1-yl]acetamide
PubChem CID91475346
Molecular FormulaC21H20F3N3O3
Molecular Weight419.40 g/mol
Exact Mass419.15
IUPAC Name2-oxo-N-phenyl-2-[4-[[3-(trifluoromethyl)phenyl]methoxyamino]-3,6-dihydro-2H-pyridin-1-yl]acetamide
SMILESO=C(Nc1ccccc1)C(=O)N1CC=C(NOCc2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C21H20F3N3O3/c22-21(23,24)16-6-4-5-15(13-16)14-30-26-18-9-11-27(12-10-18)20(29)19(28)25-17-7-2-1-3-8-17/h1-9,13,26H,10-12,14H2,(H,25,28)
InChIKeySKAWNPTXCJFNST-UHFFFAOYSA-N
XLogP3.48
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.40
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[(4-fluorophenyl)methoxy]-2-oxo-N-[2-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 7189972
N-(2,5-difluorophenyl)-1-[(2-fluorophenyl)methoxy]-2-oxopyridine-3-carboxamide
CID 7190089
benzyl N-[2-oxo-2-[[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]amino]ethyl]carbamate
CID 134945627
2-methyl-N-phenylmethoxy-2-[4-(trifluoromethyl)anilino]propanamide
CID 154721786
2-anilino-2-methyl-N-[(2,3,4,5,6-pentafluorophenyl)methoxy]propanamide
CID 154721793
1-(benzyloxy)-N-(3-fluorophenyl)-2-oxo-1,2-dihydropyridine-3-carboxamide
CID 4058770
1-(benzyloxy)-2-oxo-N-[2-(trifluoromethyl)phenyl]-1,2-dihydropyridine-3-carboxamide
CID 6710485
1-[(4-fluorophenyl)methoxy]-N-(4-methylphenyl)-2-oxopyridine-3-carboxamide
CID 6710602
1-[(4-fluorophenyl)methoxy]-N-(2-methylphenyl)-2-oxopyridine-3-carboxamide
CID 7189926
N-(3-fluorophenyl)-1-[(4-fluorophenyl)methoxy]-2-oxopyridine-3-carboxamide
CID 7189955
N-(2,4-difluorophenyl)-1-[(4-fluorophenyl)methoxy]-2-oxopyridine-3-carboxamide
CID 7190002
N-(3,4-difluorophenyl)-1-[(4-fluorophenyl)methoxy]-2-oxopyridine-3-carboxamide
CID 7190010

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-phenyl-2-[4-[[3-(trifluoromethyl)phenyl]methoxyamino]-3,6-dihydro-2H-pyridin-1-yl]acetamide?
The IUPAC name of 2-oxo-N-phenyl-2-[4-[[3-(trifluoromethyl)phenyl]methoxyamino]-3,6-dihydro-2H-pyridin-1-yl]acetamide (CID 91475346) is 2-oxo-N-phenyl-2-[4-[[3-(trifluoromethyl)phenyl]methoxyamino]-3,6-dihydro-2H-pyridin-1-yl]acetamide.
What is the SMILES notation for 2-oxo-N-phenyl-2-[4-[[3-(trifluoromethyl)phenyl]methoxyamino]-3,6-dihydro-2H-pyridin-1-yl]acetamide?
The canonical SMILES for 2-oxo-N-phenyl-2-[4-[[3-(trifluoromethyl)phenyl]methoxyamino]-3,6-dihydro-2H-pyridin-1-yl]acetamide is O=C(Nc1ccccc1)C(=O)N1CC=C(NOCc2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of 2-oxo-N-phenyl-2-[4-[[3-(trifluoromethyl)phenyl]methoxyamino]-3,6-dihydro-2H-pyridin-1-yl]acetamide?
The InChIKey is SKAWNPTXCJFNST-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F3N3O3/c22-21(23,24)16-6-4-5-15(13-16)14-30-26-18-9-11-27(12-10-18)20(29)19(28)25-17-7-2-1-3-8-17/h1-9,13,26H,10-12,14H2,(H,25,28).
What are the key properties of 2-oxo-N-phenyl-2-[4-[[3-(trifluoromethyl)phenyl]methoxyamino]-3,6-dihydro-2H-pyridin-1-yl]acetamide?
2-oxo-N-phenyl-2-[4-[[3-(trifluoromethyl)phenyl]methoxyamino]-3,6-dihydro-2H-pyridin-1-yl]acetamide has a molecular weight of 419.40 g/mol, XLogP of 3.48, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-phenyl-2-[4-[[3-(trifluoromethyl)phenyl]methoxyamino]-3,6-dihydro-2H-pyridin-1-yl]acetamide is sourced from PubChem (CID 91475346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).