1-(2-amino-3-methylbutyl)-6-(trifluoromethyl)pyridin-2-one

C11H15F3N2O — CID 81319400

IUPAC1-(2-amino-3-methylbutyl)-6-(trifluoromethyl)pyridin-2-one
SMILESCC(C)C(N)Cn1c(C(F)(F)F)cccc1=O
InChIInChI=1S/C11H15F3N2O/c1-7(2)8(15)6-16-9(11(12,13)14)4-3-5-10(16)17/h3-5,7-8H,6,15H2,1-2H3
InChIKeyOMGWXEZNSYFFEZ-UHFFFAOYSA-N
MW248.25 g/mol
LogP1.85
Rot. Bonds3

About 1-(2-amino-3-methylbutyl)-6-(trifluoromethyl)pyridin-2-one

1-(2-amino-3-methylbutyl)-6-(trifluoromethyl)pyridin-2-one (PubChem CID 81319400) has the molecular formula C11H15F3N2O and a molecular weight of 248.25 g/mol. Its IUPAC name is 1-(2-amino-3-methylbutyl)-6-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name1-(2-amino-3-methylbutyl)-6-(trifluoromethyl)pyridin-2-one
PubChem CID81319400
Molecular FormulaC11H15F3N2O
Molecular Weight248.25 g/mol
Exact Mass248.11
IUPAC Name1-(2-amino-3-methylbutyl)-6-(trifluoromethyl)pyridin-2-one
SMILESCC(C)C(N)Cn1c(C(F)(F)F)cccc1=O
InChIInChI=1S/C11H15F3N2O/c1-7(2)8(15)6-16-9(11(12,13)14)4-3-5-10(16)17/h3-5,7-8H,6,15H2,1-2H3
InChIKeyOMGWXEZNSYFFEZ-UHFFFAOYSA-N
XLogP1.85
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.25
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-Amino-1-(4,4,4-trifluorobutyl)-1,2-dihydropyridin-2-one
CID 115513885
1-(3,3-Difluorocyclobutyl)-3-(methylamino)pyridin-2-one
CID 137449445
3-Amino-1-(3,3-difluorocyclobutyl)pyridin-2(1H)-one
CID 137457289
1-(3,3-Difluorocyclobutyl)-3-(propan-2-ylamino)pyridin-2-one
CID 137457388
6-Fluoro-1-(2-methylpropyl)-3-(propan-2-ylamino)pyridin-2-one
CID 153486265
3-(2,2-Difluoropropylamino)-1-propan-2-ylpyridin-2-one
CID 159723528
3-amino-1-[(1S,2S)-2-(difluoromethyl)-2-methylcyclopropyl]pyridin-2-one
CID 164554745
3-amino-1-[(2S)-2-(difluoromethyl)-2-methylcyclopropyl]pyridin-2-one
CID 164554798
3-Amino-1-[2-(difluoromethyl)-2-methylcyclopropyl]pyridin-2-one
CID 164554976
1-Propan-2-yl-3-(2,2,2-trifluoroethylamino)pyridin-2-one
CID 165387428
3-amino-1-[(1R,2S)-2-(difluoromethyl)-2-methylcyclopropyl]pyridin-2-one
CID 171422142
3-Amino-1-butyl-6-(trifluoromethyl)-1,2-dihydropyridin-2-one
CID 39871955

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-3-methylbutyl)-6-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 1-(2-amino-3-methylbutyl)-6-(trifluoromethyl)pyridin-2-one (CID 81319400) is 1-(2-amino-3-methylbutyl)-6-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 1-(2-amino-3-methylbutyl)-6-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 1-(2-amino-3-methylbutyl)-6-(trifluoromethyl)pyridin-2-one is CC(C)C(N)Cn1c(C(F)(F)F)cccc1=O.
What is the InChIKey of 1-(2-amino-3-methylbutyl)-6-(trifluoromethyl)pyridin-2-one?
The InChIKey is OMGWXEZNSYFFEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2O/c1-7(2)8(15)6-16-9(11(12,13)14)4-3-5-10(16)17/h3-5,7-8H,6,15H2,1-2H3.
What are the key properties of 1-(2-amino-3-methylbutyl)-6-(trifluoromethyl)pyridin-2-one?
1-(2-amino-3-methylbutyl)-6-(trifluoromethyl)pyridin-2-one has a molecular weight of 248.25 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-3-methylbutyl)-6-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 81319400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).