methyl 4-[3-[[6-[3-fluoro-5-(fluoromethyl)phenyl]-3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl]amino]propoxy]benzoate

C25H24F2N2O6 — CID 90349450

IUPACmethyl 4-[3-[[6-[3-fluoro-5-(fluoromethyl)phenyl]-3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl]amino]propoxy]benzoate
SMILESCOC(=O)c1ccc(OCCCNC(=O)c2cc(-c3cc(F)cc(CF)c3)n(C)c(=O)c2O)cc1
InChIInChI=1S/C25H24F2N2O6/c1-29-21(17-10-15(14-26)11-18(27)12-17)13-20(22(30)24(29)32)23(31)28-8-3-9-35-19-6-4-16(5-7-19)25(33)34-2/h4-7,10-13,30H,3,8-9,14H2,1-2H3,(H,28,31)
InChIKeyNAICBJZACGYSKD-UHFFFAOYSA-N
MW486.47 g/mol
LogP3.35
Rot. Bonds9

About methyl 4-[3-[[6-[3-fluoro-5-(fluoromethyl)phenyl]-3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl]amino]propoxy]benzoate

methyl 4-[3-[[6-[3-fluoro-5-(fluoromethyl)phenyl]-3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl]amino]propoxy]benzoate (PubChem CID 90349450) has the molecular formula C25H24F2N2O6 and a molecular weight of 486.47 g/mol. Its IUPAC name is methyl 4-[3-[[6-[3-fluoro-5-(fluoromethyl)phenyl]-3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl]amino]propoxy]benzoate.

Molecular Properties

Compound Namemethyl 4-[3-[[6-[3-fluoro-5-(fluoromethyl)phenyl]-3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl]amino]propoxy]benzoate
PubChem CID90349450
Molecular FormulaC25H24F2N2O6
Molecular Weight486.47 g/mol
Exact Mass486.16
IUPAC Namemethyl 4-[3-[[6-[3-fluoro-5-(fluoromethyl)phenyl]-3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl]amino]propoxy]benzoate
SMILESCOC(=O)c1ccc(OCCCNC(=O)c2cc(-c3cc(F)cc(CF)c3)n(C)c(=O)c2O)cc1
InChIInChI=1S/C25H24F2N2O6/c1-29-21(17-10-15(14-26)11-18(27)12-17)13-20(22(30)24(29)32)23(31)28-8-3-9-35-19-6-4-16(5-7-19)25(33)34-2/h4-7,10-13,30H,3,8-9,14H2,1-2H3,(H,28,31)
InChIKeyNAICBJZACGYSKD-UHFFFAOYSA-N
XLogP3.35
TPSA106.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.47
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze methyl 4-[3-[[6-[3-fluoro-5-(fluoromethyl)phenyl]-3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl]amino]propoxy]benzoate with MolForge

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Related Compounds

methyl 3-[3-[[6-[3-fluoro-5-(trifluoromethyl)phenyl]-3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl]amino]propoxy]benzoate
CID 71547553
N-[3-(2-chlorophenoxy)propyl]-6-(fluoromethyl)-3-hydroxy-1-methyl-2-oxopyridine-4-carboxamide
CID 90349487
N-[1-(3,5-difluorophenyl)ethyl]-6-(3-fluoro-5-methylphenyl)-3-hydroxy-1-methyl-2-oxopyridine-4-carboxamide;6-(3-fluoro-5-methylphenyl)-3-hydroxy-1-methyl-N-[3-(2-methylphenoxy)propyl]-2-oxopyridine-4-carboxamide;6-(3-fluoro-5-methylphenyl)-3-hydroxy-1-methyl-2-oxo-N-[2-[4-(trifluoromethyl)phenyl]ethyl]pyridine-4-carboxamide
CID 157468457
3-hydroxy-1-methyl-2-oxo-6-(trifluoromethyl)-N-[3-[3-(trifluoromethyl)phenoxy]propyl]pyridine-4-carboxamide
CID 71547711
6-[3-fluoro-5-(trifluoromethyl)phenyl]-3-hydroxy-1-methyl-N-[(4-methylphenyl)methyl]-2-oxopyridine-4-carboxamide
CID 90347490
methyl 4-(2-acetamidoethoxy)benzoate
CID 3104610
methyl 4-[2-(fluoroamino)ethoxy]benzoate
CID 143872134
N-[3-(4-fluorophenoxy)propyl]-4-(methoxymethyl)benzamide
CID 60601538
N-[3-(3,4-dichlorophenyl)propyl]-6-[4-(dimethylcarbamoyl)phenyl]-3-hydroxy-1-methyl-2-oxopyridine-4-carboxamide
CID 71547310
methyl 4-[3-[(4-nitrobenzoyl)amino]propoxy]benzoate
CID 142721853
methyl 4-[2-[(4-chlorobenzoyl)amino]ethoxy]benzoate
CID 14097617
N-[4-(4-fluorophenoxy)butyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide
CID 32644974

Frequently Asked Questions

What is the IUPAC name of methyl 4-[3-[[6-[3-fluoro-5-(fluoromethyl)phenyl]-3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl]amino]propoxy]benzoate?
The IUPAC name of methyl 4-[3-[[6-[3-fluoro-5-(fluoromethyl)phenyl]-3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl]amino]propoxy]benzoate (CID 90349450) is methyl 4-[3-[[6-[3-fluoro-5-(fluoromethyl)phenyl]-3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl]amino]propoxy]benzoate.
What is the SMILES notation for methyl 4-[3-[[6-[3-fluoro-5-(fluoromethyl)phenyl]-3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl]amino]propoxy]benzoate?
The canonical SMILES for methyl 4-[3-[[6-[3-fluoro-5-(fluoromethyl)phenyl]-3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl]amino]propoxy]benzoate is COC(=O)c1ccc(OCCCNC(=O)c2cc(-c3cc(F)cc(CF)c3)n(C)c(=O)c2O)cc1.
What is the InChIKey of methyl 4-[3-[[6-[3-fluoro-5-(fluoromethyl)phenyl]-3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl]amino]propoxy]benzoate?
The InChIKey is NAICBJZACGYSKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F2N2O6/c1-29-21(17-10-15(14-26)11-18(27)12-17)13-20(22(30)24(29)32)23(31)28-8-3-9-35-19-6-4-16(5-7-19)25(33)34-2/h4-7,10-13,30H,3,8-9,14H2,1-2H3,(H,28,31).
What are the key properties of methyl 4-[3-[[6-[3-fluoro-5-(fluoromethyl)phenyl]-3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl]amino]propoxy]benzoate?
methyl 4-[3-[[6-[3-fluoro-5-(fluoromethyl)phenyl]-3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl]amino]propoxy]benzoate has a molecular weight of 486.47 g/mol, XLogP of 3.35, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[3-[[6-[3-fluoro-5-(fluoromethyl)phenyl]-3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl]amino]propoxy]benzoate is sourced from PubChem (CID 90349450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).