6-oxo-N-[3-(trifluoromethyl)cyclohexyl]-1H-pyridine-3-carboxamide

C13H15F3N2O2 — CID 18147795

IUPAC6-oxo-N-[3-(trifluoromethyl)cyclohexyl]-1H-pyridine-3-carboxamide
SMILESO=C(NC1CCCC(C(F)(F)F)C1)c1ccc(=O)[nH]c1
InChIInChI=1S/C13H15F3N2O2/c14-13(15,16)9-2-1-3-10(6-9)18-12(20)8-4-5-11(19)17-7-8/h4-5,7,9-10H,1-3,6H2,(H,17,19)(H,18,20)
InChIKeyPNGXBFVISGNGIA-UHFFFAOYSA-N
MW288.27 g/mol
LogP2.23
Rot. Bonds2

About 6-oxo-N-[3-(trifluoromethyl)cyclohexyl]-1H-pyridine-3-carboxamide

6-oxo-N-[3-(trifluoromethyl)cyclohexyl]-1H-pyridine-3-carboxamide (PubChem CID 18147795) has the molecular formula C13H15F3N2O2 and a molecular weight of 288.27 g/mol. Its IUPAC name is 6-oxo-N-[3-(trifluoromethyl)cyclohexyl]-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name6-oxo-N-[3-(trifluoromethyl)cyclohexyl]-1H-pyridine-3-carboxamide
PubChem CID18147795
Molecular FormulaC13H15F3N2O2
Molecular Weight288.27 g/mol
Exact Mass288.11
IUPAC Name6-oxo-N-[3-(trifluoromethyl)cyclohexyl]-1H-pyridine-3-carboxamide
SMILESO=C(NC1CCCC(C(F)(F)F)C1)c1ccc(=O)[nH]c1
InChIInChI=1S/C13H15F3N2O2/c14-13(15,16)9-2-1-3-10(6-9)18-12(20)8-4-5-11(19)17-7-8/h4-5,7,9-10H,1-3,6H2,(H,17,19)(H,18,20)
InChIKeyPNGXBFVISGNGIA-UHFFFAOYSA-N
XLogP2.23
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.27
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-oxo-N-[3-(trifluoromethyl)cyclohexyl]-1H-pyridine-3-carboxamide?
The IUPAC name of 6-oxo-N-[3-(trifluoromethyl)cyclohexyl]-1H-pyridine-3-carboxamide (CID 18147795) is 6-oxo-N-[3-(trifluoromethyl)cyclohexyl]-1H-pyridine-3-carboxamide.
What is the SMILES notation for 6-oxo-N-[3-(trifluoromethyl)cyclohexyl]-1H-pyridine-3-carboxamide?
The canonical SMILES for 6-oxo-N-[3-(trifluoromethyl)cyclohexyl]-1H-pyridine-3-carboxamide is O=C(NC1CCCC(C(F)(F)F)C1)c1ccc(=O)[nH]c1.
What is the InChIKey of 6-oxo-N-[3-(trifluoromethyl)cyclohexyl]-1H-pyridine-3-carboxamide?
The InChIKey is PNGXBFVISGNGIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2O2/c14-13(15,16)9-2-1-3-10(6-9)18-12(20)8-4-5-11(19)17-7-8/h4-5,7,9-10H,1-3,6H2,(H,17,19)(H,18,20).
What are the key properties of 6-oxo-N-[3-(trifluoromethyl)cyclohexyl]-1H-pyridine-3-carboxamide?
6-oxo-N-[3-(trifluoromethyl)cyclohexyl]-1H-pyridine-3-carboxamide has a molecular weight of 288.27 g/mol, XLogP of 2.23, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-N-[3-(trifluoromethyl)cyclohexyl]-1H-pyridine-3-carboxamide is sourced from PubChem (CID 18147795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).