(2S)-2-[[(1S)-3-(4-methoxyphenyl)-1-[6-(trifluoromethyl)-3-pyridinyl]propyl]amino]-N-methyl-2-phenylacetamide

C25H26F3N3O2 — CID 59553610

IUPAC(2S)-2-[[(1S)-3-(4-methoxyphenyl)-1-[6-(trifluoromethyl)-3-pyridinyl]propyl]amino]-N-methyl-2-phenylacetamide
SMILESCNC(=O)[C@@H](N[C@@H](CCc1ccc(OC)cc1)c1ccc(C(F)(F)F)nc1)c1ccccc1
InChIInChI=1S/C25H26F3N3O2/c1-29-24(32)23(18-6-4-3-5-7-18)31-21(14-10-17-8-12-20(33-2)13-9-17)19-11-15-22(30-16-19)25(26,27)28/h3-9,11-13,15-16,21,23,31H,10,14H2,1-2H3,(H,29,32)/t21-,23-/m0/s1
InChIKeyIZLGBNDCTFROQN-GMAHTHKFSA-N
MW457.50 g/mol
LogP4.86
Rot. Bonds9

About (2S)-2-[[(1S)-3-(4-methoxyphenyl)-1-[6-(trifluoromethyl)-3-pyridinyl]propyl]amino]-N-methyl-2-phenylacetamide

(2S)-2-[[(1S)-3-(4-methoxyphenyl)-1-[6-(trifluoromethyl)-3-pyridinyl]propyl]amino]-N-methyl-2-phenylacetamide (PubChem CID 59553610) has the molecular formula C25H26F3N3O2 and a molecular weight of 457.50 g/mol. Its IUPAC name is (2S)-2-[[(1S)-3-(4-methoxyphenyl)-1-[6-(trifluoromethyl)-3-pyridinyl]propyl]amino]-N-methyl-2-phenylacetamide.

Molecular Properties

Compound Name(2S)-2-[[(1S)-3-(4-methoxyphenyl)-1-[6-(trifluoromethyl)-3-pyridinyl]propyl]amino]-N-methyl-2-phenylacetamide
PubChem CID59553610
Molecular FormulaC25H26F3N3O2
Molecular Weight457.50 g/mol
Exact Mass457.20
IUPAC Name(2S)-2-[[(1S)-3-(4-methoxyphenyl)-1-[6-(trifluoromethyl)-3-pyridinyl]propyl]amino]-N-methyl-2-phenylacetamide
SMILESCNC(=O)[C@@H](N[C@@H](CCc1ccc(OC)cc1)c1ccc(C(F)(F)F)nc1)c1ccccc1
InChIInChI=1S/C25H26F3N3O2/c1-29-24(32)23(18-6-4-3-5-7-18)31-21(14-10-17-8-12-20(33-2)13-9-17)19-11-15-22(30-16-19)25(26,27)28/h3-9,11-13,15-16,21,23,31H,10,14H2,1-2H3,(H,29,32)/t21-,23-/m0/s1
InChIKeyIZLGBNDCTFROQN-GMAHTHKFSA-N
XLogP4.86
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.50
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-2-phenyl-2-[[(1R)-1-[3-(trifluoromethoxy)phenyl]-3-[6-(trifluoromethyl)-3-pyridinyl]propyl]amino]acetamide
CID 87566527
(2S)-N-methyl-2-phenyl-2-[[(1R)-1-[3-(trifluoromethoxy)phenyl]-3-[6-(trifluoromethyl)-3-pyridinyl]propyl]amino]acetamide
CID 87566305
(2S)-2-[[(1R)-1-(3,4-dimethylphenyl)-3-[6-(trifluoromethyl)-3-pyridinyl]propyl]amino]-N-methyl-2-phenylacetamide
CID 25097908
2-[[(1R)-1-(3,4-dimethylphenyl)-3-[6-(trifluoromethyl)-3-pyridinyl]propyl]amino]-N-methyl-2-phenylacetamide
CID 68766346
(2S)-2-[[(1S)-1-(3,4-dimethylphenyl)-3-[6-(trifluoromethyl)-3-pyridinyl]propyl]amino]-N-methyl-2-phenylacetamide
CID 68766345
(2R)-N-methyl-2-[[1-(3-methylphenyl)-3-[6-(trifluoromethyl)-3-pyridinyl]propyl]amino]-2-phenylacetamide
CID 162555657
(2S)-2-[[(1S)-1-(4-chloro-3-methylphenyl)-3-[6-(trifluoromethyl)-3-pyridinyl]propyl]amino]-N-methyl-2-phenylacetamide
CID 25097635
(2R)-2-[[(1S)-1-(3,4-dimethylphenyl)-4-[6-(trifluoromethyl)-3-pyridinyl]butyl]amino]-N-methyl-2-phenylacetamide
CID 163493716
2-(4-chlorophenyl)-2-[[(1R)-1-(4-fluoro-3-methoxyphenyl)-3-[6-(trifluoromethyl)-3-pyridinyl]propyl]amino]-N-methylacetamide
CID 68769486
(2S)-2-(4-chlorophenyl)-2-[[(1S)-1-(4-fluoro-3-methoxyphenyl)-3-[6-(trifluoromethyl)-3-pyridinyl]propyl]amino]-N-methylacetamide
CID 68769484
(2S)-2-[[(1S)-1-(4-chloro-3-methoxyphenyl)-3-[6-(trifluoromethyl)-3-pyridinyl]propyl]amino]-2-(4-chlorophenyl)-N-methylacetamide
CID 68768522
(2S)-2-[[(1S)-1-[4-(difluoromethoxy)-3-methoxyphenyl]-3-[6-(trifluoromethyl)-3-pyridinyl]propyl]amino]-2-(4-fluorophenyl)-N-methylacetamide
CID 87567034

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[(1S)-3-(4-methoxyphenyl)-1-[6-(trifluoromethyl)-3-pyridinyl]propyl]amino]-N-methyl-2-phenylacetamide?
The IUPAC name of (2S)-2-[[(1S)-3-(4-methoxyphenyl)-1-[6-(trifluoromethyl)-3-pyridinyl]propyl]amino]-N-methyl-2-phenylacetamide (CID 59553610) is (2S)-2-[[(1S)-3-(4-methoxyphenyl)-1-[6-(trifluoromethyl)-3-pyridinyl]propyl]amino]-N-methyl-2-phenylacetamide.
What is the SMILES notation for (2S)-2-[[(1S)-3-(4-methoxyphenyl)-1-[6-(trifluoromethyl)-3-pyridinyl]propyl]amino]-N-methyl-2-phenylacetamide?
The canonical SMILES for (2S)-2-[[(1S)-3-(4-methoxyphenyl)-1-[6-(trifluoromethyl)-3-pyridinyl]propyl]amino]-N-methyl-2-phenylacetamide is CNC(=O)[C@@H](N[C@@H](CCc1ccc(OC)cc1)c1ccc(C(F)(F)F)nc1)c1ccccc1.
What is the InChIKey of (2S)-2-[[(1S)-3-(4-methoxyphenyl)-1-[6-(trifluoromethyl)-3-pyridinyl]propyl]amino]-N-methyl-2-phenylacetamide?
The InChIKey is IZLGBNDCTFROQN-GMAHTHKFSA-N. The full InChI is InChI=1S/C25H26F3N3O2/c1-29-24(32)23(18-6-4-3-5-7-18)31-21(14-10-17-8-12-20(33-2)13-9-17)19-11-15-22(30-16-19)25(26,27)28/h3-9,11-13,15-16,21,23,31H,10,14H2,1-2H3,(H,29,32)/t21-,23-/m0/s1.
What are the key properties of (2S)-2-[[(1S)-3-(4-methoxyphenyl)-1-[6-(trifluoromethyl)-3-pyridinyl]propyl]amino]-N-methyl-2-phenylacetamide?
(2S)-2-[[(1S)-3-(4-methoxyphenyl)-1-[6-(trifluoromethyl)-3-pyridinyl]propyl]amino]-N-methyl-2-phenylacetamide has a molecular weight of 457.50 g/mol, XLogP of 4.86, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[(1S)-3-(4-methoxyphenyl)-1-[6-(trifluoromethyl)-3-pyridinyl]propyl]amino]-N-methyl-2-phenylacetamide is sourced from PubChem (CID 59553610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).