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

C24H25F3N4O — CID 69040834

IUPAC(2R)-N-methyl-2-[[(3S)-3-(6-methyl-2-pyridinyl)-3-[6-(trifluoromethyl)-3-pyridinyl]propyl]amino]-2-phenylacetamide
SMILESCNC(=O)[C@H](NCC[C@@H](c1ccc(C(F)(F)F)nc1)c1cccc(C)n1)c1ccccc1
InChIInChI=1S/C24H25F3N4O/c1-16-7-6-10-20(31-16)19(18-11-12-21(30-15-18)24(25,26)27)13-14-29-22(23(32)28-2)17-8-4-3-5-9-17/h3-12,15,19,22,29H,13-14H2,1-2H3,(H,28,32)/t19-,22+/m0/s1
InChIKeyXFGOKDMCPVVWDT-SIKLNZKXSA-N
MW442.49 g/mol
LogP4.40
Rot. Bonds8

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

(2R)-N-methyl-2-[[(3S)-3-(6-methyl-2-pyridinyl)-3-[6-(trifluoromethyl)-3-pyridinyl]propyl]amino]-2-phenylacetamide (PubChem CID 69040834) has the molecular formula C24H25F3N4O and a molecular weight of 442.49 g/mol. Its IUPAC name is (2R)-N-methyl-2-[[(3S)-3-(6-methyl-2-pyridinyl)-3-[6-(trifluoromethyl)-3-pyridinyl]propyl]amino]-2-phenylacetamide.

Molecular Properties

Compound Name(2R)-N-methyl-2-[[(3S)-3-(6-methyl-2-pyridinyl)-3-[6-(trifluoromethyl)-3-pyridinyl]propyl]amino]-2-phenylacetamide
PubChem CID69040834
Molecular FormulaC24H25F3N4O
Molecular Weight442.49 g/mol
Exact Mass442.20
IUPAC Name(2R)-N-methyl-2-[[(3S)-3-(6-methyl-2-pyridinyl)-3-[6-(trifluoromethyl)-3-pyridinyl]propyl]amino]-2-phenylacetamide
SMILESCNC(=O)[C@H](NCC[C@@H](c1ccc(C(F)(F)F)nc1)c1cccc(C)n1)c1ccccc1
InChIInChI=1S/C24H25F3N4O/c1-16-7-6-10-20(31-16)19(18-11-12-21(30-15-18)24(25,26)27)13-14-29-22(23(32)28-2)17-8-4-3-5-9-17/h3-12,15,19,22,29H,13-14H2,1-2H3,(H,28,32)/t19-,22+/m0/s1
InChIKeyXFGOKDMCPVVWDT-SIKLNZKXSA-N
XLogP4.40
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.49
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2R)-N-methyl-2-[[(3S)-3-(6-methyl-2-pyridinyl)-3-[6-(trifluoromethyl)-3-pyridinyl]propyl]amino]-2-phenylacetamide with MolForge

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Related Compounds

(2R)-2-[[(3S)-3-(4-fluoro-3-methylphenyl)-3-[6-(trifluoromethyl)-3-pyridinyl]propyl]amino]-N-methyl-2-phenylacetamide
CID 69043403
(2R)-2-[[(3R)-3-(4-fluoro-3-methoxyphenyl)-3-[6-(trifluoromethyl)-3-pyridinyl]propyl]amino]-N-methyl-2-phenylacetamide
CID 69042231
(2S)-2-(4-ethylphenyl)-2-[[(3R)-3-(4-fluoro-3-methylphenyl)-3-[6-(trifluoromethyl)-3-pyridinyl]propyl]amino]-N-methylacetamide
CID 69040873
(2R)-2-(4-fluorophenyl)-N-methyl-2-[[(3S)-3-(5,6,7,8-tetrahydronaphthalen-2-yl)-3-[6-(trifluoromethyl)-3-pyridinyl]propyl]amino]acetamide
CID 69041306
2-[[3-(4-fluoro-3-methylphenyl)-3-pyrazin-2-ylpropyl]amino]-N-methyl-2-phenylacetamide
CID 69042464
(2R)-2-[[(3S)-3-(5-chloro-2-methoxyphenyl)-3-[6-(trifluoromethyl)-3-pyridinyl]propyl]amino]-2-(4-fluorophenyl)-N-methylacetamide
CID 69045423
(2R)-2-[[(1S)-1-(6-chloro-2-pyridinyl)-3-[6-(trifluoromethyl)-3-pyridinyl]propyl]amino]-N-methyl-2-phenylacetamide
CID 59553764
(2R)-N-methyl-2-[[(3S)-3-(3-methylphenyl)-3-[4-(trifluoromethyl)phenyl]propyl]amino]-2-phenylacetamide;hydrochloride
CID 69041206
(2S)-2-[[(1S)-3-(4-methoxyphenyl)-1-[6-(trifluoromethyl)-3-pyridinyl]propyl]amino]-N-methyl-2-phenylacetamide
CID 59553610
(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

Frequently Asked Questions

What is the IUPAC name of (2R)-N-methyl-2-[[(3S)-3-(6-methyl-2-pyridinyl)-3-[6-(trifluoromethyl)-3-pyridinyl]propyl]amino]-2-phenylacetamide?
The IUPAC name of (2R)-N-methyl-2-[[(3S)-3-(6-methyl-2-pyridinyl)-3-[6-(trifluoromethyl)-3-pyridinyl]propyl]amino]-2-phenylacetamide (CID 69040834) is (2R)-N-methyl-2-[[(3S)-3-(6-methyl-2-pyridinyl)-3-[6-(trifluoromethyl)-3-pyridinyl]propyl]amino]-2-phenylacetamide.
What is the SMILES notation for (2R)-N-methyl-2-[[(3S)-3-(6-methyl-2-pyridinyl)-3-[6-(trifluoromethyl)-3-pyridinyl]propyl]amino]-2-phenylacetamide?
The canonical SMILES for (2R)-N-methyl-2-[[(3S)-3-(6-methyl-2-pyridinyl)-3-[6-(trifluoromethyl)-3-pyridinyl]propyl]amino]-2-phenylacetamide is CNC(=O)[C@H](NCC[C@@H](c1ccc(C(F)(F)F)nc1)c1cccc(C)n1)c1ccccc1.
What is the InChIKey of (2R)-N-methyl-2-[[(3S)-3-(6-methyl-2-pyridinyl)-3-[6-(trifluoromethyl)-3-pyridinyl]propyl]amino]-2-phenylacetamide?
The InChIKey is XFGOKDMCPVVWDT-SIKLNZKXSA-N. The full InChI is InChI=1S/C24H25F3N4O/c1-16-7-6-10-20(31-16)19(18-11-12-21(30-15-18)24(25,26)27)13-14-29-22(23(32)28-2)17-8-4-3-5-9-17/h3-12,15,19,22,29H,13-14H2,1-2H3,(H,28,32)/t19-,22+/m0/s1.
What are the key properties of (2R)-N-methyl-2-[[(3S)-3-(6-methyl-2-pyridinyl)-3-[6-(trifluoromethyl)-3-pyridinyl]propyl]amino]-2-phenylacetamide?
(2R)-N-methyl-2-[[(3S)-3-(6-methyl-2-pyridinyl)-3-[6-(trifluoromethyl)-3-pyridinyl]propyl]amino]-2-phenylacetamide has a molecular weight of 442.49 g/mol, XLogP of 4.40, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-methyl-2-[[(3S)-3-(6-methyl-2-pyridinyl)-3-[6-(trifluoromethyl)-3-pyridinyl]propyl]amino]-2-phenylacetamide is sourced from PubChem (CID 69040834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).