1-ethyl-4,6-dimethyl-2-oxo-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide

C12H15F3N2O2 — CID 77087502

IUPAC1-ethyl-4,6-dimethyl-2-oxo-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
SMILESCCn1c(C)cc(C)c(C(=O)NCC(F)(F)F)c1=O
InChIInChI=1S/C12H15F3N2O2/c1-4-17-8(3)5-7(2)9(11(17)19)10(18)16-6-12(13,14)15/h5H,4,6H2,1-3H3,(H,16,18)
InChIKeyZXGKGVFBIOSMDT-UHFFFAOYSA-N
MW276.26 g/mol
LogP1.78
Rot. Bonds3

About 1-ethyl-4,6-dimethyl-2-oxo-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide

1-ethyl-4,6-dimethyl-2-oxo-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide (PubChem CID 77087502) has the molecular formula C12H15F3N2O2 and a molecular weight of 276.26 g/mol. Its IUPAC name is 1-ethyl-4,6-dimethyl-2-oxo-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name1-ethyl-4,6-dimethyl-2-oxo-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
PubChem CID77087502
Molecular FormulaC12H15F3N2O2
Molecular Weight276.26 g/mol
Exact Mass276.11
IUPAC Name1-ethyl-4,6-dimethyl-2-oxo-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
SMILESCCn1c(C)cc(C)c(C(=O)NCC(F)(F)F)c1=O
InChIInChI=1S/C12H15F3N2O2/c1-4-17-8(3)5-7(2)9(11(17)19)10(18)16-6-12(13,14)15/h5H,4,6H2,1-3H3,(H,16,18)
InChIKeyZXGKGVFBIOSMDT-UHFFFAOYSA-N
XLogP1.78
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.26
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4,6-dimethyl-2-oxo-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide?
The IUPAC name of 1-ethyl-4,6-dimethyl-2-oxo-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide (CID 77087502) is 1-ethyl-4,6-dimethyl-2-oxo-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide.
What is the SMILES notation for 1-ethyl-4,6-dimethyl-2-oxo-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide?
The canonical SMILES for 1-ethyl-4,6-dimethyl-2-oxo-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide is CCn1c(C)cc(C)c(C(=O)NCC(F)(F)F)c1=O.
What is the InChIKey of 1-ethyl-4,6-dimethyl-2-oxo-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide?
The InChIKey is ZXGKGVFBIOSMDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O2/c1-4-17-8(3)5-7(2)9(11(17)19)10(18)16-6-12(13,14)15/h5H,4,6H2,1-3H3,(H,16,18).
What are the key properties of 1-ethyl-4,6-dimethyl-2-oxo-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide?
1-ethyl-4,6-dimethyl-2-oxo-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide has a molecular weight of 276.26 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4,6-dimethyl-2-oxo-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide is sourced from PubChem (CID 77087502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).