2-oxo-N-[3-(trifluoromethyl)cyclohexyl]-1H-pyridine-4-carboxamide

C13H15F3N2O2 — CID 103763671

IUPAC2-oxo-N-[3-(trifluoromethyl)cyclohexyl]-1H-pyridine-4-carboxamide
SMILESO=C(NC1CCCC(C(F)(F)F)C1)c1cc[nH]c(=O)c1
InChIInChI=1S/C13H15F3N2O2/c14-13(15,16)9-2-1-3-10(7-9)18-12(20)8-4-5-17-11(19)6-8/h4-6,9-10H,1-3,7H2,(H,17,19)(H,18,20)
InChIKeyKRANTVLUGUVLPX-UHFFFAOYSA-N
MW288.27 g/mol
LogP2.23
Rot. Bonds2

About 2-oxo-N-[3-(trifluoromethyl)cyclohexyl]-1H-pyridine-4-carboxamide

2-oxo-N-[3-(trifluoromethyl)cyclohexyl]-1H-pyridine-4-carboxamide (PubChem CID 103763671) has the molecular formula C13H15F3N2O2 and a molecular weight of 288.27 g/mol. Its IUPAC name is 2-oxo-N-[3-(trifluoromethyl)cyclohexyl]-1H-pyridine-4-carboxamide.

Molecular Properties

Compound Name2-oxo-N-[3-(trifluoromethyl)cyclohexyl]-1H-pyridine-4-carboxamide
PubChem CID103763671
Molecular FormulaC13H15F3N2O2
Molecular Weight288.27 g/mol
Exact Mass288.11
IUPAC Name2-oxo-N-[3-(trifluoromethyl)cyclohexyl]-1H-pyridine-4-carboxamide
SMILESO=C(NC1CCCC(C(F)(F)F)C1)c1cc[nH]c(=O)c1
InChIInChI=1S/C13H15F3N2O2/c14-13(15,16)9-2-1-3-10(7-9)18-12(20)8-4-5-17-11(19)6-8/h4-6,9-10H,1-3,7H2,(H,17,19)(H,18,20)
InChIKeyKRANTVLUGUVLPX-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 2-oxo-N-[3-(trifluoromethyl)cyclohexyl]-1H-pyridine-4-carboxamide?
The IUPAC name of 2-oxo-N-[3-(trifluoromethyl)cyclohexyl]-1H-pyridine-4-carboxamide (CID 103763671) is 2-oxo-N-[3-(trifluoromethyl)cyclohexyl]-1H-pyridine-4-carboxamide.
What is the SMILES notation for 2-oxo-N-[3-(trifluoromethyl)cyclohexyl]-1H-pyridine-4-carboxamide?
The canonical SMILES for 2-oxo-N-[3-(trifluoromethyl)cyclohexyl]-1H-pyridine-4-carboxamide is O=C(NC1CCCC(C(F)(F)F)C1)c1cc[nH]c(=O)c1.
What is the InChIKey of 2-oxo-N-[3-(trifluoromethyl)cyclohexyl]-1H-pyridine-4-carboxamide?
The InChIKey is KRANTVLUGUVLPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2O2/c14-13(15,16)9-2-1-3-10(7-9)18-12(20)8-4-5-17-11(19)6-8/h4-6,9-10H,1-3,7H2,(H,17,19)(H,18,20).
What are the key properties of 2-oxo-N-[3-(trifluoromethyl)cyclohexyl]-1H-pyridine-4-carboxamide?
2-oxo-N-[3-(trifluoromethyl)cyclohexyl]-1H-pyridine-4-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 2-oxo-N-[3-(trifluoromethyl)cyclohexyl]-1H-pyridine-4-carboxamide is sourced from PubChem (CID 103763671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).