(2S)-2-amino-4-methyl-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pentanamide

C13H18F3N3O2 — CID 61156174

IUPAC(2S)-2-amino-4-methyl-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pentanamide
SMILESCC(C)C[C@H](N)C(=O)Nc1ccc(OCC(F)(F)F)nc1
InChIInChI=1S/C13H18F3N3O2/c1-8(2)5-10(17)12(20)19-9-3-4-11(18-6-9)21-7-13(14,15)16/h3-4,6,8,10H,5,7,17H2,1-2H3,(H,19,20)/t10-/m0/s1
InChIKeyXFSRRVNJHFFTOE-JTQLQIEISA-N
MW305.30 g/mol
LogP2.33
Rot. Bonds6

About (2S)-2-amino-4-methyl-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pentanamide

(2S)-2-amino-4-methyl-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pentanamide (PubChem CID 61156174) has the molecular formula C13H18F3N3O2 and a molecular weight of 305.30 g/mol. Its IUPAC name is (2S)-2-amino-4-methyl-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pentanamide.

Molecular Properties

Compound Name(2S)-2-amino-4-methyl-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pentanamide
PubChem CID61156174
Molecular FormulaC13H18F3N3O2
Molecular Weight305.30 g/mol
Exact Mass305.14
IUPAC Name(2S)-2-amino-4-methyl-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pentanamide
SMILESCC(C)C[C@H](N)C(=O)Nc1ccc(OCC(F)(F)F)nc1
InChIInChI=1S/C13H18F3N3O2/c1-8(2)5-10(17)12(20)19-9-3-4-11(18-6-9)21-7-13(14,15)16/h3-4,6,8,10H,5,7,17H2,1-2H3,(H,19,20)/t10-/m0/s1
InChIKeyXFSRRVNJHFFTOE-JTQLQIEISA-N
XLogP2.33
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.30
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]butanediamide;dihydrochloride
CID 119957958
3-amino-2-methyl-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]propanamide
CID 62669799
2-methyl-3-(methylamino)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]propanamide
CID 79195926
(2S)-2-amino-4-methyl-N-(6-phenoxy-3-pyridinyl)pentanamide
CID 119849184
3-amino-2-methoxy-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]propanamide
CID 106111469
(2S)-2-amino-4-methyl-N-[3-(2,2,2-trifluoroethoxy)phenyl]pentanamide;hydrochloride
CID 119727329
(2S)-2-amino-N-[6-(4-methoxyphenoxy)-3-pyridinyl]-4-methylpentanamide;dihydrochloride
CID 119893859
ethyl N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]carbamate
CID 61067882
(2S)-2-amino-N-[3-fluoro-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-4-methylpentanamide
CID 119887717
tert-butyl N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]carbamate
CID 65142733
(2R)-N-(methylcarbamoyl)-2-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]amino]propanamide
CID 94641374
(2S)-2-amino-N-(6-ethoxy-3-pyridinyl)pentanamide
CID 107570145

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-methyl-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pentanamide?
The IUPAC name of (2S)-2-amino-4-methyl-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pentanamide (CID 61156174) is (2S)-2-amino-4-methyl-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pentanamide.
What is the SMILES notation for (2S)-2-amino-4-methyl-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pentanamide?
The canonical SMILES for (2S)-2-amino-4-methyl-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pentanamide is CC(C)C[C@H](N)C(=O)Nc1ccc(OCC(F)(F)F)nc1.
What is the InChIKey of (2S)-2-amino-4-methyl-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pentanamide?
The InChIKey is XFSRRVNJHFFTOE-JTQLQIEISA-N. The full InChI is InChI=1S/C13H18F3N3O2/c1-8(2)5-10(17)12(20)19-9-3-4-11(18-6-9)21-7-13(14,15)16/h3-4,6,8,10H,5,7,17H2,1-2H3,(H,19,20)/t10-/m0/s1.
What are the key properties of (2S)-2-amino-4-methyl-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pentanamide?
(2S)-2-amino-4-methyl-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pentanamide has a molecular weight of 305.30 g/mol, XLogP of 2.33, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4-methyl-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pentanamide is sourced from PubChem (CID 61156174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).