3-ethyl-4,6-dimethyl-1-[3-[1-methyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]butyl]pyridin-2-one

C20H25F3N2O2 — CID 167006043

IUPAC3-ethyl-4,6-dimethyl-1-[3-[1-methyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]butyl]pyridin-2-one
SMILESCCc1c(C)cc(C)n(CCC(C)c2cc(C(F)(F)F)cn(C)c2=O)c1=O
InChIInChI=1S/C20H25F3N2O2/c1-6-16-13(3)9-14(4)25(19(16)27)8-7-12(2)17-10-15(20(21,22)23)11-24(5)18(17)26/h9-12H,6-8H2,1-5H3
InChIKeyRZBARVLVIFYWNG-UHFFFAOYSA-N
MW382.43 g/mol
LogP3.94
Rot. Bonds5

About 3-ethyl-4,6-dimethyl-1-[3-[1-methyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]butyl]pyridin-2-one

3-ethyl-4,6-dimethyl-1-[3-[1-methyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]butyl]pyridin-2-one (PubChem CID 167006043) has the molecular formula C20H25F3N2O2 and a molecular weight of 382.43 g/mol. Its IUPAC name is 3-ethyl-4,6-dimethyl-1-[3-[1-methyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]butyl]pyridin-2-one.

Molecular Properties

Compound Name3-ethyl-4,6-dimethyl-1-[3-[1-methyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]butyl]pyridin-2-one
PubChem CID167006043
Molecular FormulaC20H25F3N2O2
Molecular Weight382.43 g/mol
Exact Mass382.19
IUPAC Name3-ethyl-4,6-dimethyl-1-[3-[1-methyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]butyl]pyridin-2-one
SMILESCCc1c(C)cc(C)n(CCC(C)c2cc(C(F)(F)F)cn(C)c2=O)c1=O
InChIInChI=1S/C20H25F3N2O2/c1-6-16-13(3)9-14(4)25(19(16)27)8-7-12(2)17-10-15(20(21,22)23)11-24(5)18(17)26/h9-12H,6-8H2,1-5H3
InChIKeyRZBARVLVIFYWNG-UHFFFAOYSA-N
XLogP3.94
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.43
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4,6-dimethyl-1-[3-[1-methyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]butyl]pyridin-2-one?
The IUPAC name of 3-ethyl-4,6-dimethyl-1-[3-[1-methyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]butyl]pyridin-2-one (CID 167006043) is 3-ethyl-4,6-dimethyl-1-[3-[1-methyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]butyl]pyridin-2-one.
What is the SMILES notation for 3-ethyl-4,6-dimethyl-1-[3-[1-methyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]butyl]pyridin-2-one?
The canonical SMILES for 3-ethyl-4,6-dimethyl-1-[3-[1-methyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]butyl]pyridin-2-one is CCc1c(C)cc(C)n(CCC(C)c2cc(C(F)(F)F)cn(C)c2=O)c1=O.
What is the InChIKey of 3-ethyl-4,6-dimethyl-1-[3-[1-methyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]butyl]pyridin-2-one?
The InChIKey is RZBARVLVIFYWNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25F3N2O2/c1-6-16-13(3)9-14(4)25(19(16)27)8-7-12(2)17-10-15(20(21,22)23)11-24(5)18(17)26/h9-12H,6-8H2,1-5H3.
What are the key properties of 3-ethyl-4,6-dimethyl-1-[3-[1-methyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]butyl]pyridin-2-one?
3-ethyl-4,6-dimethyl-1-[3-[1-methyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]butyl]pyridin-2-one has a molecular weight of 382.43 g/mol, XLogP of 3.94, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4,6-dimethyl-1-[3-[1-methyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]butyl]pyridin-2-one is sourced from PubChem (CID 167006043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).