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

C22H20F5N3O3 — CID 91372710

IUPACN-(2,4-difluorophenyl)-3-oxo-3-[4-[[3-(trifluoromethyl)phenyl]methoxyamino]-3,6-dihydro-2H-pyridin-1-yl]propanamide
SMILESO=C(CC(=O)N1CC=C(NOCc2cccc(C(F)(F)F)c2)CC1)Nc1ccc(F)cc1F
InChIInChI=1S/C22H20F5N3O3/c23-16-4-5-19(18(24)11-16)28-20(31)12-21(32)30-8-6-17(7-9-30)29-33-13-14-2-1-3-15(10-14)22(25,26)27/h1-6,10-11,29H,7-9,12-13H2,(H,28,31)
InChIKeyOEBWKMXEEPMXPI-UHFFFAOYSA-N
MW469.41 g/mol
LogP4.15
Rot. Bonds7

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

N-(2,4-difluorophenyl)-3-oxo-3-[4-[[3-(trifluoromethyl)phenyl]methoxyamino]-3,6-dihydro-2H-pyridin-1-yl]propanamide (PubChem CID 91372710) has the molecular formula C22H20F5N3O3 and a molecular weight of 469.41 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-3-oxo-3-[4-[[3-(trifluoromethyl)phenyl]methoxyamino]-3,6-dihydro-2H-pyridin-1-yl]propanamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-3-oxo-3-[4-[[3-(trifluoromethyl)phenyl]methoxyamino]-3,6-dihydro-2H-pyridin-1-yl]propanamide
PubChem CID91372710
Molecular FormulaC22H20F5N3O3
Molecular Weight469.41 g/mol
Exact Mass469.14
IUPAC NameN-(2,4-difluorophenyl)-3-oxo-3-[4-[[3-(trifluoromethyl)phenyl]methoxyamino]-3,6-dihydro-2H-pyridin-1-yl]propanamide
SMILESO=C(CC(=O)N1CC=C(NOCc2cccc(C(F)(F)F)c2)CC1)Nc1ccc(F)cc1F
InChIInChI=1S/C22H20F5N3O3/c23-16-4-5-19(18(24)11-16)28-20(31)12-21(32)30-8-6-17(7-9-30)29-33-13-14-2-1-3-15(10-14)22(25,26)27/h1-6,10-11,29H,7-9,12-13H2,(H,28,31)
InChIKeyOEBWKMXEEPMXPI-UHFFFAOYSA-N
XLogP4.15
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.41
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-(2,4-difluorophenyl)-3-oxo-3-[4-[[3-(trifluoromethyl)phenyl]methoxyamino]-3,6-dihydro-2H-pyridin-1-yl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
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-(4-ethylphenyl)-1-[(4-fluorophenyl)methoxy]-2-oxopyridine-3-carboxamide
CID 7189931
N-(2-ethylphenyl)-1-[(4-fluorophenyl)methoxy]-2-oxopyridine-3-carboxamide
CID 7189933
N-(4-butylphenyl)-1-[(4-fluorophenyl)methoxy]-2-oxopyridine-3-carboxamide
CID 7189935
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 N-(2,4-difluorophenyl)-3-oxo-3-[4-[[3-(trifluoromethyl)phenyl]methoxyamino]-3,6-dihydro-2H-pyridin-1-yl]propanamide?
The IUPAC name of N-(2,4-difluorophenyl)-3-oxo-3-[4-[[3-(trifluoromethyl)phenyl]methoxyamino]-3,6-dihydro-2H-pyridin-1-yl]propanamide (CID 91372710) is N-(2,4-difluorophenyl)-3-oxo-3-[4-[[3-(trifluoromethyl)phenyl]methoxyamino]-3,6-dihydro-2H-pyridin-1-yl]propanamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-3-oxo-3-[4-[[3-(trifluoromethyl)phenyl]methoxyamino]-3,6-dihydro-2H-pyridin-1-yl]propanamide?
The canonical SMILES for N-(2,4-difluorophenyl)-3-oxo-3-[4-[[3-(trifluoromethyl)phenyl]methoxyamino]-3,6-dihydro-2H-pyridin-1-yl]propanamide is O=C(CC(=O)N1CC=C(NOCc2cccc(C(F)(F)F)c2)CC1)Nc1ccc(F)cc1F.
What is the InChIKey of N-(2,4-difluorophenyl)-3-oxo-3-[4-[[3-(trifluoromethyl)phenyl]methoxyamino]-3,6-dihydro-2H-pyridin-1-yl]propanamide?
The InChIKey is OEBWKMXEEPMXPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F5N3O3/c23-16-4-5-19(18(24)11-16)28-20(31)12-21(32)30-8-6-17(7-9-30)29-33-13-14-2-1-3-15(10-14)22(25,26)27/h1-6,10-11,29H,7-9,12-13H2,(H,28,31).
What are the key properties of N-(2,4-difluorophenyl)-3-oxo-3-[4-[[3-(trifluoromethyl)phenyl]methoxyamino]-3,6-dihydro-2H-pyridin-1-yl]propanamide?
N-(2,4-difluorophenyl)-3-oxo-3-[4-[[3-(trifluoromethyl)phenyl]methoxyamino]-3,6-dihydro-2H-pyridin-1-yl]propanamide has a molecular weight of 469.41 g/mol, XLogP of 4.15, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-3-oxo-3-[4-[[3-(trifluoromethyl)phenyl]methoxyamino]-3,6-dihydro-2H-pyridin-1-yl]propanamide is sourced from PubChem (CID 91372710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).