1-[2-(butan-2-ylamino)ethyl]-6-(trifluoromethyl)pyridin-2-one

C12H17F3N2O — CID 81319040

IUPAC1-[2-(butan-2-ylamino)ethyl]-6-(trifluoromethyl)pyridin-2-one
SMILESCCC(C)NCCn1c(C(F)(F)F)cccc1=O
InChIInChI=1S/C12H17F3N2O/c1-3-9(2)16-7-8-17-10(12(13,14)15)5-4-6-11(17)18/h4-6,9,16H,3,7-8H2,1-2H3
InChIKeyLPRVAVYVLYOLNK-UHFFFAOYSA-N
MW262.27 g/mol
LogP2.26
Rot. Bonds5

About 1-[2-(butan-2-ylamino)ethyl]-6-(trifluoromethyl)pyridin-2-one

1-[2-(butan-2-ylamino)ethyl]-6-(trifluoromethyl)pyridin-2-one (PubChem CID 81319040) has the molecular formula C12H17F3N2O and a molecular weight of 262.27 g/mol. Its IUPAC name is 1-[2-(butan-2-ylamino)ethyl]-6-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name1-[2-(butan-2-ylamino)ethyl]-6-(trifluoromethyl)pyridin-2-one
PubChem CID81319040
Molecular FormulaC12H17F3N2O
Molecular Weight262.27 g/mol
Exact Mass262.13
IUPAC Name1-[2-(butan-2-ylamino)ethyl]-6-(trifluoromethyl)pyridin-2-one
SMILESCCC(C)NCCn1c(C(F)(F)F)cccc1=O
InChIInChI=1S/C12H17F3N2O/c1-3-9(2)16-7-8-17-10(12(13,14)15)5-4-6-11(17)18/h4-6,9,16H,3,7-8H2,1-2H3
InChIKeyLPRVAVYVLYOLNK-UHFFFAOYSA-N
XLogP2.26
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[2-(butan-2-ylamino)ethyl]-6-(trifluoromethyl)pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Nigragillin
CID 71454343
3-Amino-1-ethyl-6-(trifluoromethyl)-1,2-dihydropyridin-2-one
CID 39871946
2-(3-acetamido-2-oxo-1-pyridinyl)-N-propan-2-ylacetamide
CID 45268243
2-[2-oxo-3-(propylamino)-1-pyridinyl]-N-propylacetamide
CID 45271636
2-(3-acetamido-2-oxo-1-pyridinyl)-N-propylacetamide
CID 45272533
1-(2,5-Dimethylpiperazin-1-yl)hexa-2,4-dien-1-one
CID 77052214
2,2-dimethyl-N-[2-oxo-2-[[2-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]amino]ethyl]propanamide
CID 71971522
N~2~-methyl-N~1~-[3-(6-methyl-2-oxopyridin-1(2H)-yl)propyl]-L-alaninamide
CID 91828411
N-[2-oxo-1-(2,2,2-trifluoroethyl)pyridin-3-yl]acetamide
CID 97223378
3-Amino-6-trifluoromethyl-1-allyl-2-pyridinone
CID 18926409
(E)-N-[2-[[(3E)-2,6-dimethylhepta-1,3,5-trien-4-yl]amino]ethyl]-4,4,4-trifluorobut-2-enamide
CID 89722374
(E)-4,4,4-trifluoro-N-[2-[[(3E,5Z)-2-methylhepta-1,3,5-trien-4-yl]amino]ethyl]but-2-enamide
CID 89722387

Frequently Asked Questions

What is the IUPAC name of 1-[2-(butan-2-ylamino)ethyl]-6-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 1-[2-(butan-2-ylamino)ethyl]-6-(trifluoromethyl)pyridin-2-one (CID 81319040) is 1-[2-(butan-2-ylamino)ethyl]-6-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 1-[2-(butan-2-ylamino)ethyl]-6-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 1-[2-(butan-2-ylamino)ethyl]-6-(trifluoromethyl)pyridin-2-one is CCC(C)NCCn1c(C(F)(F)F)cccc1=O.
What is the InChIKey of 1-[2-(butan-2-ylamino)ethyl]-6-(trifluoromethyl)pyridin-2-one?
The InChIKey is LPRVAVYVLYOLNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2O/c1-3-9(2)16-7-8-17-10(12(13,14)15)5-4-6-11(17)18/h4-6,9,16H,3,7-8H2,1-2H3.
What are the key properties of 1-[2-(butan-2-ylamino)ethyl]-6-(trifluoromethyl)pyridin-2-one?
1-[2-(butan-2-ylamino)ethyl]-6-(trifluoromethyl)pyridin-2-one has a molecular weight of 262.27 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(butan-2-ylamino)ethyl]-6-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 81319040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).