5-[(1R,2S)-1-(4-methylphenyl)-2-[(2,2,2-trifluoroacetyl)amino]propoxy]-N-phenylpyridine-2-carboxamide

C24H22F3N3O3 — CID 162661975

IUPAC5-[(1R,2S)-1-(4-methylphenyl)-2-[(2,2,2-trifluoroacetyl)amino]propoxy]-N-phenylpyridine-2-carboxamide
SMILESCc1ccc([C@@H](Oc2ccc(C(=O)Nc3ccccc3)nc2)[C@H](C)NC(=O)C(F)(F)F)cc1
InChIInChI=1S/C24H22F3N3O3/c1-15-8-10-17(11-9-15)21(16(2)29-23(32)24(25,26)27)33-19-12-13-20(28-14-19)22(31)30-18-6-4-3-5-7-18/h3-14,16,21H,1-2H3,(H,29,32)(H,30,31)/t16-,21-/m0/s1
InChIKeyKJELVKWMZHVGSD-KKSFZXQISA-N
MW457.45 g/mol
LogP4.83
Rot. Bonds7

About 5-[(1R,2S)-1-(4-methylphenyl)-2-[(2,2,2-trifluoroacetyl)amino]propoxy]-N-phenylpyridine-2-carboxamide

5-[(1R,2S)-1-(4-methylphenyl)-2-[(2,2,2-trifluoroacetyl)amino]propoxy]-N-phenylpyridine-2-carboxamide (PubChem CID 162661975) has the molecular formula C24H22F3N3O3 and a molecular weight of 457.45 g/mol. Its IUPAC name is 5-[(1R,2S)-1-(4-methylphenyl)-2-[(2,2,2-trifluoroacetyl)amino]propoxy]-N-phenylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-[(1R,2S)-1-(4-methylphenyl)-2-[(2,2,2-trifluoroacetyl)amino]propoxy]-N-phenylpyridine-2-carboxamide
PubChem CID162661975
Molecular FormulaC24H22F3N3O3
Molecular Weight457.45 g/mol
Exact Mass457.16
IUPAC Name5-[(1R,2S)-1-(4-methylphenyl)-2-[(2,2,2-trifluoroacetyl)amino]propoxy]-N-phenylpyridine-2-carboxamide
SMILESCc1ccc([C@@H](Oc2ccc(C(=O)Nc3ccccc3)nc2)[C@H](C)NC(=O)C(F)(F)F)cc1
InChIInChI=1S/C24H22F3N3O3/c1-15-8-10-17(11-9-15)21(16(2)29-23(32)24(25,26)27)33-19-12-13-20(28-14-19)22(31)30-18-6-4-3-5-7-18/h3-14,16,21H,1-2H3,(H,29,32)(H,30,31)/t16-,21-/m0/s1
InChIKeyKJELVKWMZHVGSD-KKSFZXQISA-N
XLogP4.83
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.45
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-[(1R,2S)-1-(4-methylphenyl)-2-[(2,2,2-trifluoroacetyl)amino]propoxy]-N-phenylpyridine-2-carboxamide with MolForge

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Related Compounds

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CID 24765479
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CID 42609962
Tta-A2
CID 53317097
5-(4-((Phenethylamino)methyl)phenoxy)picolinamide
CID 44434951
N-(3-(ethylcarbamoyl) benzyl)-6H-isochromeno [3,4-c] pyridine-8-carboxamide
CID 129159093
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CID 2352168
3-{2-({[(1R)-1-(3,5-Dimethylphenyl)-3-methylbutyl]-amino}carbonyl)-4-[(pyridin-3-yloxy)methyl]phenyl}propanoicacid
CID 9982348
3-(2-({[(1R)-1-(3,5-Dimethylphenyl)-3-methylbutyl]-amino}carbonyl)-4-{[(6-methylpyridin-3-yl)oxy]methyl}-phenyl)propanoic acid
CID 10051189
3-(2-({[(1R)-1-(3,5-Dimethylphenyl)-3-methylbutyl]-amino}carbonyl)-4-{[(2-methylpyridin-3-yl)oxy]methyl}-phenyl)propanoic acid
CID 10480657
[4-(3-Pyridyloxymethyl)-2-(2-trifluoromethylphenyl)benzoyl]methionine
CID 10839225
5-((1S)-2-((2R)-4-benzoyl-2-methyl-piperazin-1-yl)-1-methyl-2-oxo-ethoxy)-4-methoxy-pyridine-2-carboxylic acid methylamide
CID 11655099
2-[4-[(3S)-3-fluoropyrrolidin-1-yl]phenyl]-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)pyridin-2-yl]ethyl]acetamide
CID 24765959

Frequently Asked Questions

What is the IUPAC name of 5-[(1R,2S)-1-(4-methylphenyl)-2-[(2,2,2-trifluoroacetyl)amino]propoxy]-N-phenylpyridine-2-carboxamide?
The IUPAC name of 5-[(1R,2S)-1-(4-methylphenyl)-2-[(2,2,2-trifluoroacetyl)amino]propoxy]-N-phenylpyridine-2-carboxamide (CID 162661975) is 5-[(1R,2S)-1-(4-methylphenyl)-2-[(2,2,2-trifluoroacetyl)amino]propoxy]-N-phenylpyridine-2-carboxamide.
What is the SMILES notation for 5-[(1R,2S)-1-(4-methylphenyl)-2-[(2,2,2-trifluoroacetyl)amino]propoxy]-N-phenylpyridine-2-carboxamide?
The canonical SMILES for 5-[(1R,2S)-1-(4-methylphenyl)-2-[(2,2,2-trifluoroacetyl)amino]propoxy]-N-phenylpyridine-2-carboxamide is Cc1ccc([C@@H](Oc2ccc(C(=O)Nc3ccccc3)nc2)[C@H](C)NC(=O)C(F)(F)F)cc1.
What is the InChIKey of 5-[(1R,2S)-1-(4-methylphenyl)-2-[(2,2,2-trifluoroacetyl)amino]propoxy]-N-phenylpyridine-2-carboxamide?
The InChIKey is KJELVKWMZHVGSD-KKSFZXQISA-N. The full InChI is InChI=1S/C24H22F3N3O3/c1-15-8-10-17(11-9-15)21(16(2)29-23(32)24(25,26)27)33-19-12-13-20(28-14-19)22(31)30-18-6-4-3-5-7-18/h3-14,16,21H,1-2H3,(H,29,32)(H,30,31)/t16-,21-/m0/s1.
What are the key properties of 5-[(1R,2S)-1-(4-methylphenyl)-2-[(2,2,2-trifluoroacetyl)amino]propoxy]-N-phenylpyridine-2-carboxamide?
5-[(1R,2S)-1-(4-methylphenyl)-2-[(2,2,2-trifluoroacetyl)amino]propoxy]-N-phenylpyridine-2-carboxamide has a molecular weight of 457.45 g/mol, XLogP of 4.83, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1R,2S)-1-(4-methylphenyl)-2-[(2,2,2-trifluoroacetyl)amino]propoxy]-N-phenylpyridine-2-carboxamide is sourced from PubChem (CID 162661975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).