N-[4-[4-[(2S)-2-amino-2,4-dimethylpentoxy]-3-(trifluoromethyl)phenyl]-2-pyridinyl]acetamide

C21H26F3N3O2 — CID 118419969

IUPACN-[4-[4-[(2S)-2-amino-2,4-dimethylpentoxy]-3-(trifluoromethyl)phenyl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(-c2ccc(OC[C@@](C)(N)CC(C)C)c(C(F)(F)F)c2)ccn1
InChIInChI=1S/C21H26F3N3O2/c1-13(2)11-20(4,25)12-29-18-6-5-15(9-17(18)21(22,23)24)16-7-8-26-19(10-16)27-14(3)28/h5-10,13H,11-12,25H2,1-4H3,(H,26,27,28)/t20-/m0/s1
InChIKeyJRJSMTAUWDJJIH-FQEVSTJZSA-N
MW409.45 g/mol
LogP4.87
Rot. Bonds7

About N-[4-[4-[(2S)-2-amino-2,4-dimethylpentoxy]-3-(trifluoromethyl)phenyl]-2-pyridinyl]acetamide

N-[4-[4-[(2S)-2-amino-2,4-dimethylpentoxy]-3-(trifluoromethyl)phenyl]-2-pyridinyl]acetamide (PubChem CID 118419969) has the molecular formula C21H26F3N3O2 and a molecular weight of 409.45 g/mol. Its IUPAC name is N-[4-[4-[(2S)-2-amino-2,4-dimethylpentoxy]-3-(trifluoromethyl)phenyl]-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[4-[4-[(2S)-2-amino-2,4-dimethylpentoxy]-3-(trifluoromethyl)phenyl]-2-pyridinyl]acetamide
PubChem CID118419969
Molecular FormulaC21H26F3N3O2
Molecular Weight409.45 g/mol
Exact Mass409.20
IUPAC NameN-[4-[4-[(2S)-2-amino-2,4-dimethylpentoxy]-3-(trifluoromethyl)phenyl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(-c2ccc(OC[C@@](C)(N)CC(C)C)c(C(F)(F)F)c2)ccn1
InChIInChI=1S/C21H26F3N3O2/c1-13(2)11-20(4,25)12-29-18-6-5-15(9-17(18)21(22,23)24)16-7-8-26-19(10-16)27-14(3)28/h5-10,13H,11-12,25H2,1-4H3,(H,26,27,28)/t20-/m0/s1
InChIKeyJRJSMTAUWDJJIH-FQEVSTJZSA-N
XLogP4.87
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.45
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[4-[4-[(2S)-2-amino-2,4-dimethylpentoxy]-3-(trifluoromethyl)phenyl]-2-pyridinyl]acetamide with MolForge

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Related Compounds

US10155760, Example 23
CID 118419711
US10155760, Example 126
CID 118419759
US10155760, Example 6
CID 118419763
US10155760, Example 45
CID 118419778
US10155760, Example 3
CID 118419786
US10155760, Example 21
CID 118420000
US10155760, Example 2
CID 118420021
US10155760, Example 36
CID 118420147
US10155760, Example 12
CID 118420154
US10155760, Example 37
CID 118420200
US10155760, Example 43
CID 118420203
US10155760, Example 27
CID 118420285

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[(2S)-2-amino-2,4-dimethylpentoxy]-3-(trifluoromethyl)phenyl]-2-pyridinyl]acetamide?
The IUPAC name of N-[4-[4-[(2S)-2-amino-2,4-dimethylpentoxy]-3-(trifluoromethyl)phenyl]-2-pyridinyl]acetamide (CID 118419969) is N-[4-[4-[(2S)-2-amino-2,4-dimethylpentoxy]-3-(trifluoromethyl)phenyl]-2-pyridinyl]acetamide.
What is the SMILES notation for N-[4-[4-[(2S)-2-amino-2,4-dimethylpentoxy]-3-(trifluoromethyl)phenyl]-2-pyridinyl]acetamide?
The canonical SMILES for N-[4-[4-[(2S)-2-amino-2,4-dimethylpentoxy]-3-(trifluoromethyl)phenyl]-2-pyridinyl]acetamide is CC(=O)Nc1cc(-c2ccc(OC[C@@](C)(N)CC(C)C)c(C(F)(F)F)c2)ccn1.
What is the InChIKey of N-[4-[4-[(2S)-2-amino-2,4-dimethylpentoxy]-3-(trifluoromethyl)phenyl]-2-pyridinyl]acetamide?
The InChIKey is JRJSMTAUWDJJIH-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H26F3N3O2/c1-13(2)11-20(4,25)12-29-18-6-5-15(9-17(18)21(22,23)24)16-7-8-26-19(10-16)27-14(3)28/h5-10,13H,11-12,25H2,1-4H3,(H,26,27,28)/t20-/m0/s1.
What are the key properties of N-[4-[4-[(2S)-2-amino-2,4-dimethylpentoxy]-3-(trifluoromethyl)phenyl]-2-pyridinyl]acetamide?
N-[4-[4-[(2S)-2-amino-2,4-dimethylpentoxy]-3-(trifluoromethyl)phenyl]-2-pyridinyl]acetamide has a molecular weight of 409.45 g/mol, XLogP of 4.87, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[(2S)-2-amino-2,4-dimethylpentoxy]-3-(trifluoromethyl)phenyl]-2-pyridinyl]acetamide is sourced from PubChem (CID 118419969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).