2-oxo-N-(2-piperidin-3-ylethyl)-6-(trifluoromethyl)-1H-pyridine-3-carboxamide

C14H18F3N3O2 — CID 119556390

IUPAC2-oxo-N-(2-piperidin-3-ylethyl)-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESO=C(NCCC1CCCNC1)c1ccc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C14H18F3N3O2/c15-14(16,17)11-4-3-10(13(22)20-11)12(21)19-7-5-9-2-1-6-18-8-9/h3-4,9,18H,1-2,5-8H2,(H,19,21)(H,20,22)
InChIKeyNMLKKYHWNLNQPE-UHFFFAOYSA-N
MW317.31 g/mol
LogP1.51
Rot. Bonds4

About 2-oxo-N-(2-piperidin-3-ylethyl)-6-(trifluoromethyl)-1H-pyridine-3-carboxamide

2-oxo-N-(2-piperidin-3-ylethyl)-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (PubChem CID 119556390) has the molecular formula C14H18F3N3O2 and a molecular weight of 317.31 g/mol. Its IUPAC name is 2-oxo-N-(2-piperidin-3-ylethyl)-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name2-oxo-N-(2-piperidin-3-ylethyl)-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
PubChem CID119556390
Molecular FormulaC14H18F3N3O2
Molecular Weight317.31 g/mol
Exact Mass317.14
IUPAC Name2-oxo-N-(2-piperidin-3-ylethyl)-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESO=C(NCCC1CCCNC1)c1ccc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C14H18F3N3O2/c15-14(16,17)11-4-3-10(13(22)20-11)12(21)19-7-5-9-2-1-6-18-8-9/h3-4,9,18H,1-2,5-8H2,(H,19,21)(H,20,22)
InChIKeyNMLKKYHWNLNQPE-UHFFFAOYSA-N
XLogP1.51
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.31
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-(2-piperidin-3-ylethyl)-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The IUPAC name of 2-oxo-N-(2-piperidin-3-ylethyl)-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (CID 119556390) is 2-oxo-N-(2-piperidin-3-ylethyl)-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for 2-oxo-N-(2-piperidin-3-ylethyl)-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The canonical SMILES for 2-oxo-N-(2-piperidin-3-ylethyl)-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is O=C(NCCC1CCCNC1)c1ccc(C(F)(F)F)[nH]c1=O.
What is the InChIKey of 2-oxo-N-(2-piperidin-3-ylethyl)-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The InChIKey is NMLKKYHWNLNQPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N3O2/c15-14(16,17)11-4-3-10(13(22)20-11)12(21)19-7-5-9-2-1-6-18-8-9/h3-4,9,18H,1-2,5-8H2,(H,19,21)(H,20,22).
What are the key properties of 2-oxo-N-(2-piperidin-3-ylethyl)-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
2-oxo-N-(2-piperidin-3-ylethyl)-6-(trifluoromethyl)-1H-pyridine-3-carboxamide has a molecular weight of 317.31 g/mol, XLogP of 1.51, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-(2-piperidin-3-ylethyl)-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 119556390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).