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

C15H19F3N2O2 — CID 24605740

IUPACN-cyclooctyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESO=C(NC1CCCCCCC1)c1ccc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C15H19F3N2O2/c16-15(17,18)12-9-8-11(14(22)20-12)13(21)19-10-6-4-2-1-3-5-7-10/h8-10H,1-7H2,(H,19,21)(H,20,22)
InChIKeyUZHXVXBUVUGMKI-UHFFFAOYSA-N
MW316.32 g/mol
LogP3.24
Rot. Bonds2

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

N-cyclooctyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (PubChem CID 24605740) has the molecular formula C15H19F3N2O2 and a molecular weight of 316.32 g/mol. Its IUPAC name is N-cyclooctyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-cyclooctyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
PubChem CID24605740
Molecular FormulaC15H19F3N2O2
Molecular Weight316.32 g/mol
Exact Mass316.14
IUPAC NameN-cyclooctyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESO=C(NC1CCCCCCC1)c1ccc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C15H19F3N2O2/c16-15(17,18)12-9-8-11(14(22)20-12)13(21)19-10-6-4-2-1-3-5-7-10/h8-10H,1-7H2,(H,19,21)(H,20,22)
InChIKeyUZHXVXBUVUGMKI-UHFFFAOYSA-N
XLogP3.24
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.32
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cyclooctyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The IUPAC name of N-cyclooctyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (CID 24605740) is N-cyclooctyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-cyclooctyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The canonical SMILES for N-cyclooctyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is O=C(NC1CCCCCCC1)c1ccc(C(F)(F)F)[nH]c1=O.
What is the InChIKey of N-cyclooctyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The InChIKey is UZHXVXBUVUGMKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2O2/c16-15(17,18)12-9-8-11(14(22)20-12)13(21)19-10-6-4-2-1-3-5-7-10/h8-10H,1-7H2,(H,19,21)(H,20,22).
What are the key properties of N-cyclooctyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
N-cyclooctyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide has a molecular weight of 316.32 g/mol, XLogP of 3.24, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclooctyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 24605740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).