1-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide

C16H20F3N3O3 — CID 17487947

IUPAC1-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCCC1CCCCN1C(=O)Cn1c(C(F)(F)F)ccc(C(N)=O)c1=O
InChIInChI=1S/C16H20F3N3O3/c1-2-10-5-3-4-8-21(10)13(23)9-22-12(16(17,18)19)7-6-11(14(20)24)15(22)25/h6-7,10H,2-5,8-9H2,1H3,(H2,20,24)
InChIKeyQPMJLLUXSTWOCG-UHFFFAOYSA-N
MW359.35 g/mol
LogP1.76
Rot. Bonds4

About 1-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide

1-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 17487947) has the molecular formula C16H20F3N3O3 and a molecular weight of 359.35 g/mol. Its IUPAC name is 1-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name1-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID17487947
Molecular FormulaC16H20F3N3O3
Molecular Weight359.35 g/mol
Exact Mass359.15
IUPAC Name1-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCCC1CCCCN1C(=O)Cn1c(C(F)(F)F)ccc(C(N)=O)c1=O
InChIInChI=1S/C16H20F3N3O3/c1-2-10-5-3-4-8-21(10)13(23)9-22-12(16(17,18)19)7-6-11(14(20)24)15(22)25/h6-7,10H,2-5,8-9H2,1H3,(H2,20,24)
InChIKeyQPMJLLUXSTWOCG-UHFFFAOYSA-N
XLogP1.76
TPSA85.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.35
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of 1-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide (CID 17487947) is 1-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for 1-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for 1-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide is CCC1CCCCN1C(=O)Cn1c(C(F)(F)F)ccc(C(N)=O)c1=O.
What is the InChIKey of 1-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is QPMJLLUXSTWOCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F3N3O3/c1-2-10-5-3-4-8-21(10)13(23)9-22-12(16(17,18)19)7-6-11(14(20)24)15(22)25/h6-7,10H,2-5,8-9H2,1H3,(H2,20,24).
What are the key properties of 1-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide?
1-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 359.35 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 17487947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).