6-ethyl-5-methyl-2-oxo-N-propan-2-yl-1-(4,4,4-trifluorobutyl)pyridine-3-carboxamide

C16H23F3N2O2 — CID 59718858

IUPAC6-ethyl-5-methyl-2-oxo-N-propan-2-yl-1-(4,4,4-trifluorobutyl)pyridine-3-carboxamide
SMILESCCc1c(C)cc(C(=O)NC(C)C)c(=O)n1CCCC(F)(F)F
InChIInChI=1S/C16H23F3N2O2/c1-5-13-11(4)9-12(14(22)20-10(2)3)15(23)21(13)8-6-7-16(17,18)19/h9-10H,5-8H2,1-4H3,(H,20,22)
InChIKeyTXMWBEIAMLUWFR-UHFFFAOYSA-N
MW332.37 g/mol
LogP3.20
Rot. Bonds6

About 6-ethyl-5-methyl-2-oxo-N-propan-2-yl-1-(4,4,4-trifluorobutyl)pyridine-3-carboxamide

6-ethyl-5-methyl-2-oxo-N-propan-2-yl-1-(4,4,4-trifluorobutyl)pyridine-3-carboxamide (PubChem CID 59718858) has the molecular formula C16H23F3N2O2 and a molecular weight of 332.37 g/mol. Its IUPAC name is 6-ethyl-5-methyl-2-oxo-N-propan-2-yl-1-(4,4,4-trifluorobutyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-ethyl-5-methyl-2-oxo-N-propan-2-yl-1-(4,4,4-trifluorobutyl)pyridine-3-carboxamide
PubChem CID59718858
Molecular FormulaC16H23F3N2O2
Molecular Weight332.37 g/mol
Exact Mass332.17
IUPAC Name6-ethyl-5-methyl-2-oxo-N-propan-2-yl-1-(4,4,4-trifluorobutyl)pyridine-3-carboxamide
SMILESCCc1c(C)cc(C(=O)NC(C)C)c(=O)n1CCCC(F)(F)F
InChIInChI=1S/C16H23F3N2O2/c1-5-13-11(4)9-12(14(22)20-10(2)3)15(23)21(13)8-6-7-16(17,18)19/h9-10H,5-8H2,1-4H3,(H,20,22)
InChIKeyTXMWBEIAMLUWFR-UHFFFAOYSA-N
XLogP3.20
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.37
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-5-methyl-2-oxo-N-propan-2-yl-1-(4,4,4-trifluorobutyl)pyridine-3-carboxamide?
The IUPAC name of 6-ethyl-5-methyl-2-oxo-N-propan-2-yl-1-(4,4,4-trifluorobutyl)pyridine-3-carboxamide (CID 59718858) is 6-ethyl-5-methyl-2-oxo-N-propan-2-yl-1-(4,4,4-trifluorobutyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-ethyl-5-methyl-2-oxo-N-propan-2-yl-1-(4,4,4-trifluorobutyl)pyridine-3-carboxamide?
The canonical SMILES for 6-ethyl-5-methyl-2-oxo-N-propan-2-yl-1-(4,4,4-trifluorobutyl)pyridine-3-carboxamide is CCc1c(C)cc(C(=O)NC(C)C)c(=O)n1CCCC(F)(F)F.
What is the InChIKey of 6-ethyl-5-methyl-2-oxo-N-propan-2-yl-1-(4,4,4-trifluorobutyl)pyridine-3-carboxamide?
The InChIKey is TXMWBEIAMLUWFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F3N2O2/c1-5-13-11(4)9-12(14(22)20-10(2)3)15(23)21(13)8-6-7-16(17,18)19/h9-10H,5-8H2,1-4H3,(H,20,22).
What are the key properties of 6-ethyl-5-methyl-2-oxo-N-propan-2-yl-1-(4,4,4-trifluorobutyl)pyridine-3-carboxamide?
6-ethyl-5-methyl-2-oxo-N-propan-2-yl-1-(4,4,4-trifluorobutyl)pyridine-3-carboxamide has a molecular weight of 332.37 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-5-methyl-2-oxo-N-propan-2-yl-1-(4,4,4-trifluorobutyl)pyridine-3-carboxamide is sourced from PubChem (CID 59718858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).