4-[3-(1-methyl-6-oxo-3-pyridinyl)-1-(2-methylphenyl)-3-oxopropyl]-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide

C26H25F3N2O4 — CID 66668286

IUPAC4-[3-(1-methyl-6-oxo-3-pyridinyl)-1-(2-methylphenyl)-3-oxopropyl]-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide
SMILESCc1ccccc1C(CC(=O)c1ccc(=O)n(C)c1)c1ccc(C(=O)NCC(O)C(F)(F)F)cc1
InChIInChI=1S/C26H25F3N2O4/c1-16-5-3-4-6-20(16)21(13-22(32)19-11-12-24(34)31(2)15-19)17-7-9-18(10-8-17)25(35)30-14-23(33)26(27,28)29/h3-12,15,21,23,33H,13-14H2,1-2H3,(H,30,35)
InChIKeyLCVXFQCWCUHFMR-UHFFFAOYSA-N
MW486.49 g/mol
LogP3.75
Rot. Bonds8

About 4-[3-(1-methyl-6-oxo-3-pyridinyl)-1-(2-methylphenyl)-3-oxopropyl]-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide

4-[3-(1-methyl-6-oxo-3-pyridinyl)-1-(2-methylphenyl)-3-oxopropyl]-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide (PubChem CID 66668286) has the molecular formula C26H25F3N2O4 and a molecular weight of 486.49 g/mol. Its IUPAC name is 4-[3-(1-methyl-6-oxo-3-pyridinyl)-1-(2-methylphenyl)-3-oxopropyl]-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide.

Molecular Properties

Compound Name4-[3-(1-methyl-6-oxo-3-pyridinyl)-1-(2-methylphenyl)-3-oxopropyl]-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide
PubChem CID66668286
Molecular FormulaC26H25F3N2O4
Molecular Weight486.49 g/mol
Exact Mass486.18
IUPAC Name4-[3-(1-methyl-6-oxo-3-pyridinyl)-1-(2-methylphenyl)-3-oxopropyl]-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide
SMILESCc1ccccc1C(CC(=O)c1ccc(=O)n(C)c1)c1ccc(C(=O)NCC(O)C(F)(F)F)cc1
InChIInChI=1S/C26H25F3N2O4/c1-16-5-3-4-6-20(16)21(13-22(32)19-11-12-24(34)31(2)15-19)17-7-9-18(10-8-17)25(35)30-14-23(33)26(27,28)29/h3-12,15,21,23,33H,13-14H2,1-2H3,(H,30,35)
InChIKeyLCVXFQCWCUHFMR-UHFFFAOYSA-N
XLogP3.75
TPSA88.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.49
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[3-(1-methyl-6-oxo-3-pyridinyl)-1-(2-methylphenyl)-3-oxopropyl]-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide with MolForge

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Related Compounds

methyl 2-[[4-[3-(1-methyl-6-oxo-3-pyridinyl)-1-(2-methylphenyl)-3-oxopropyl]benzoyl]amino]acetate
CID 67015532
3-[[4-[3-(1-methyl-6-oxo-3-pyridinyl)-1-(2-methylphenyl)-3-oxopropyl]benzoyl]amino]propanoic acid
CID 67015647
1-methyl-5-[3-(2-methylphenyl)-3-(4-methylsulfonylphenyl)propanoyl]pyridin-2-one
CID 66668194
4-[(1R)-3-(1-methyl-6-oxo-3-pyridinyl)-1-(2-methylphenyl)-3-oxopropyl]benzonitrile
CID 67015760
4-[1-(4-chloro-2-methylphenyl)-3-(1-methyl-6-oxo-3-pyridinyl)-3-oxopropyl]-N-(2,3-dihydroxypropyl)benzamide
CID 66668534
4-[4-[(3Z)-3-hydroxyimino-3-(1-methyl-6-oxo-3-pyridinyl)-1-(2-methylphenyl)propyl]phenyl]benzoic acid
CID 86661019
5-[3-(4-bromophenyl)-3-(2-fluorophenyl)propanoyl]-1-methylpyridin-2-one
CID 66669163
2-[(2R)-2,3-dihydroxypropyl]-4-[3-(1-methyl-6-oxo-3-pyridinyl)-1-(2-methylphenyl)-3-oxopropyl]benzamide
CID 140573968
3-bromo-5-[(3R)-3-(4-bromophenyl)-3-(2-methylphenyl)propanoyl]-1-methylpyridin-2-one
CID 67015677
methyl 2-[[4-[4-[(3E)-1-(4-fluoro-2-methylphenyl)-3-hydroxyimino-3-(1-methyl-6-oxo-3-pyridinyl)propyl]phenyl]benzoyl]amino]acetate
CID 58043274
5-[(Z)-N-hydroxy-C-[(2S)-2-(2-methylphenyl)-2-(4-methylsulfonylphenyl)ethyl]carbonimidoyl]-1-methylpyridin-2-one
CID 86661222
5-[3-(4-bromophenyl)-3-(2-methylphenyl)propanoyl]-1-(cyclopropylmethyl)pyridin-2-one
CID 66669168

Frequently Asked Questions

What is the IUPAC name of 4-[3-(1-methyl-6-oxo-3-pyridinyl)-1-(2-methylphenyl)-3-oxopropyl]-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide?
The IUPAC name of 4-[3-(1-methyl-6-oxo-3-pyridinyl)-1-(2-methylphenyl)-3-oxopropyl]-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide (CID 66668286) is 4-[3-(1-methyl-6-oxo-3-pyridinyl)-1-(2-methylphenyl)-3-oxopropyl]-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide.
What is the SMILES notation for 4-[3-(1-methyl-6-oxo-3-pyridinyl)-1-(2-methylphenyl)-3-oxopropyl]-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide?
The canonical SMILES for 4-[3-(1-methyl-6-oxo-3-pyridinyl)-1-(2-methylphenyl)-3-oxopropyl]-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide is Cc1ccccc1C(CC(=O)c1ccc(=O)n(C)c1)c1ccc(C(=O)NCC(O)C(F)(F)F)cc1.
What is the InChIKey of 4-[3-(1-methyl-6-oxo-3-pyridinyl)-1-(2-methylphenyl)-3-oxopropyl]-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide?
The InChIKey is LCVXFQCWCUHFMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25F3N2O4/c1-16-5-3-4-6-20(16)21(13-22(32)19-11-12-24(34)31(2)15-19)17-7-9-18(10-8-17)25(35)30-14-23(33)26(27,28)29/h3-12,15,21,23,33H,13-14H2,1-2H3,(H,30,35).
What are the key properties of 4-[3-(1-methyl-6-oxo-3-pyridinyl)-1-(2-methylphenyl)-3-oxopropyl]-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide?
4-[3-(1-methyl-6-oxo-3-pyridinyl)-1-(2-methylphenyl)-3-oxopropyl]-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide has a molecular weight of 486.49 g/mol, XLogP of 3.75, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(1-methyl-6-oxo-3-pyridinyl)-1-(2-methylphenyl)-3-oxopropyl]-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide is sourced from PubChem (CID 66668286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).