3-amino-1-cyclohexyl-4-methyl-6-(trifluoromethyl)pyridin-2-one

C13H17F3N2O — CID 167641664

IUPAC3-amino-1-cyclohexyl-4-methyl-6-(trifluoromethyl)pyridin-2-one
SMILESCc1cc(C(F)(F)F)n(C2CCCCC2)c(=O)c1N
InChIInChI=1S/C13H17F3N2O/c1-8-7-10(13(14,15)16)18(12(19)11(8)17)9-5-3-2-4-6-9/h7,9H,2-6,17H2,1H3
InChIKeyVNTHBQLOQITGTP-UHFFFAOYSA-N
MW274.29 g/mol
LogP3.26
Rot. Bonds1

About 3-amino-1-cyclohexyl-4-methyl-6-(trifluoromethyl)pyridin-2-one

3-amino-1-cyclohexyl-4-methyl-6-(trifluoromethyl)pyridin-2-one (PubChem CID 167641664) has the molecular formula C13H17F3N2O and a molecular weight of 274.29 g/mol. Its IUPAC name is 3-amino-1-cyclohexyl-4-methyl-6-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name3-amino-1-cyclohexyl-4-methyl-6-(trifluoromethyl)pyridin-2-one
PubChem CID167641664
Molecular FormulaC13H17F3N2O
Molecular Weight274.29 g/mol
Exact Mass274.13
IUPAC Name3-amino-1-cyclohexyl-4-methyl-6-(trifluoromethyl)pyridin-2-one
SMILESCc1cc(C(F)(F)F)n(C2CCCCC2)c(=O)c1N
InChIInChI=1S/C13H17F3N2O/c1-8-7-10(13(14,15)16)18(12(19)11(8)17)9-5-3-2-4-6-9/h7,9H,2-6,17H2,1H3
InChIKeyVNTHBQLOQITGTP-UHFFFAOYSA-N
XLogP3.26
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.29
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-Amino-6-methylhept-1-en-3-yl)-5-[2-(dimethylamino)ethyl]-4-(trifluoromethyl)pyridin-2-one
CID 156283317
3-Amino-1-[3-(3,3-difluoropiperidin-1-yl)propyl]-5-(trifluoromethyl)pyridin-2-one
CID 164559719
3-Amino-1-(4,4-difluorocyclohexyl)-5-methylpyridin-2-one
CID 171484670
2-(difluoromethyl)-N-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1,2-dihydropyridine-6-carboxamide
CID 175516766
N-cyclohexyl-N'-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]oxamide
CID 53576032
N'-cyclohexyl-N'-methyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]oxamide
CID 53606746
1-[2-(Cyclohexylamino)ethyl]-5-(trifluoromethyl)pyridin-2-one
CID 63280218
N-cyclohexyl-2-[6-methyl-2-oxo-4-(trifluoromethyl)pyridin-1(2H)-yl]propanamide
CID 72874488
1-(2-azepan-1-yl-2-oxoethyl)-6-methyl-4-(trifluoromethyl)pyridin-2(1H)-one
CID 72900465
6-methyl-1-(1-methyl-2-oxo-2-piperidin-1-ylethyl)-4-(trifluoromethyl)pyridin-2(1H)-one
CID 72903012
N-cyclohexyl-N-methyl-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 84313886
N-cyclohexyl-N-ethyl-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 84602640

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-cyclohexyl-4-methyl-6-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 3-amino-1-cyclohexyl-4-methyl-6-(trifluoromethyl)pyridin-2-one (CID 167641664) is 3-amino-1-cyclohexyl-4-methyl-6-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 3-amino-1-cyclohexyl-4-methyl-6-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 3-amino-1-cyclohexyl-4-methyl-6-(trifluoromethyl)pyridin-2-one is Cc1cc(C(F)(F)F)n(C2CCCCC2)c(=O)c1N.
What is the InChIKey of 3-amino-1-cyclohexyl-4-methyl-6-(trifluoromethyl)pyridin-2-one?
The InChIKey is VNTHBQLOQITGTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O/c1-8-7-10(13(14,15)16)18(12(19)11(8)17)9-5-3-2-4-6-9/h7,9H,2-6,17H2,1H3.
What are the key properties of 3-amino-1-cyclohexyl-4-methyl-6-(trifluoromethyl)pyridin-2-one?
3-amino-1-cyclohexyl-4-methyl-6-(trifluoromethyl)pyridin-2-one has a molecular weight of 274.29 g/mol, XLogP of 3.26, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-cyclohexyl-4-methyl-6-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 167641664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).