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

C20H24F3N3O2 — CID 118420335

IUPACN-[4-[4-[(2S)-2-amino-4-methylpentoxy]-3-(trifluoromethyl)phenyl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(-c2ccc(OC[C@@H](N)CC(C)C)c(C(F)(F)F)c2)ccn1
InChIInChI=1S/C20H24F3N3O2/c1-12(2)8-16(24)11-28-18-5-4-14(9-17(18)20(21,22)23)15-6-7-25-19(10-15)26-13(3)27/h4-7,9-10,12,16H,8,11,24H2,1-3H3,(H,25,26,27)/t16-/m0/s1
InChIKeyLAHYYLXFCBPDDW-INIZCTEOSA-N
MW395.43 g/mol
LogP4.48
Rot. Bonds7

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

N-[4-[4-[(2S)-2-amino-4-methylpentoxy]-3-(trifluoromethyl)phenyl]-2-pyridinyl]acetamide (PubChem CID 118420335) has the molecular formula C20H24F3N3O2 and a molecular weight of 395.43 g/mol. Its IUPAC name is N-[4-[4-[(2S)-2-amino-4-methylpentoxy]-3-(trifluoromethyl)phenyl]-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[4-[4-[(2S)-2-amino-4-methylpentoxy]-3-(trifluoromethyl)phenyl]-2-pyridinyl]acetamide
PubChem CID118420335
Molecular FormulaC20H24F3N3O2
Molecular Weight395.43 g/mol
Exact Mass395.18
IUPAC NameN-[4-[4-[(2S)-2-amino-4-methylpentoxy]-3-(trifluoromethyl)phenyl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(-c2ccc(OC[C@@H](N)CC(C)C)c(C(F)(F)F)c2)ccn1
InChIInChI=1S/C20H24F3N3O2/c1-12(2)8-16(24)11-28-18-5-4-14(9-17(18)20(21,22)23)15-6-7-25-19(10-15)26-13(3)27/h4-7,9-10,12,16H,8,11,24H2,1-3H3,(H,25,26,27)/t16-/m0/s1
InChIKeyLAHYYLXFCBPDDW-INIZCTEOSA-N
XLogP4.48
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.43
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[(2S)-2-amino-4-methylpentoxy]-3-(trifluoromethyl)phenyl]-2-pyridinyl]acetamide?
The IUPAC name of N-[4-[4-[(2S)-2-amino-4-methylpentoxy]-3-(trifluoromethyl)phenyl]-2-pyridinyl]acetamide (CID 118420335) is N-[4-[4-[(2S)-2-amino-4-methylpentoxy]-3-(trifluoromethyl)phenyl]-2-pyridinyl]acetamide.
What is the SMILES notation for N-[4-[4-[(2S)-2-amino-4-methylpentoxy]-3-(trifluoromethyl)phenyl]-2-pyridinyl]acetamide?
The canonical SMILES for N-[4-[4-[(2S)-2-amino-4-methylpentoxy]-3-(trifluoromethyl)phenyl]-2-pyridinyl]acetamide is CC(=O)Nc1cc(-c2ccc(OC[C@@H](N)CC(C)C)c(C(F)(F)F)c2)ccn1.
What is the InChIKey of N-[4-[4-[(2S)-2-amino-4-methylpentoxy]-3-(trifluoromethyl)phenyl]-2-pyridinyl]acetamide?
The InChIKey is LAHYYLXFCBPDDW-INIZCTEOSA-N. The full InChI is InChI=1S/C20H24F3N3O2/c1-12(2)8-16(24)11-28-18-5-4-14(9-17(18)20(21,22)23)15-6-7-25-19(10-15)26-13(3)27/h4-7,9-10,12,16H,8,11,24H2,1-3H3,(H,25,26,27)/t16-/m0/s1.
What are the key properties of N-[4-[4-[(2S)-2-amino-4-methylpentoxy]-3-(trifluoromethyl)phenyl]-2-pyridinyl]acetamide?
N-[4-[4-[(2S)-2-amino-4-methylpentoxy]-3-(trifluoromethyl)phenyl]-2-pyridinyl]acetamide has a molecular weight of 395.43 g/mol, XLogP of 4.48, 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-4-methylpentoxy]-3-(trifluoromethyl)phenyl]-2-pyridinyl]acetamide is sourced from PubChem (CID 118420335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).