N-(oxan-4-yl)-6-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-carboxamide

C13H15F3N2O3 — CID 90554644

IUPACN-(oxan-4-yl)-6-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-carboxamide
SMILESO=C(c1ccc(=O)[nH]c1)N(CC(F)(F)F)C1CCOCC1
InChIInChI=1S/C13H15F3N2O3/c14-13(15,16)8-18(10-3-5-21-6-4-10)12(20)9-1-2-11(19)17-7-9/h1-2,7,10H,3-6,8H2,(H,17,19)
InChIKeyHDKGSPHJOZFXBN-UHFFFAOYSA-N
MW304.27 g/mol
LogP1.56
Rot. Bonds3

About N-(oxan-4-yl)-6-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-carboxamide

N-(oxan-4-yl)-6-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-carboxamide (PubChem CID 90554644) has the molecular formula C13H15F3N2O3 and a molecular weight of 304.27 g/mol. Its IUPAC name is N-(oxan-4-yl)-6-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(oxan-4-yl)-6-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-carboxamide
PubChem CID90554644
Molecular FormulaC13H15F3N2O3
Molecular Weight304.27 g/mol
Exact Mass304.10
IUPAC NameN-(oxan-4-yl)-6-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-carboxamide
SMILESO=C(c1ccc(=O)[nH]c1)N(CC(F)(F)F)C1CCOCC1
InChIInChI=1S/C13H15F3N2O3/c14-13(15,16)8-18(10-3-5-21-6-4-10)12(20)9-1-2-11(19)17-7-9/h1-2,7,10H,3-6,8H2,(H,17,19)
InChIKeyHDKGSPHJOZFXBN-UHFFFAOYSA-N
XLogP1.56
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.27
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(oxan-4-yl)-6-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-carboxamide?
The IUPAC name of N-(oxan-4-yl)-6-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-carboxamide (CID 90554644) is N-(oxan-4-yl)-6-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-(oxan-4-yl)-6-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-carboxamide?
The canonical SMILES for N-(oxan-4-yl)-6-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-carboxamide is O=C(c1ccc(=O)[nH]c1)N(CC(F)(F)F)C1CCOCC1.
What is the InChIKey of N-(oxan-4-yl)-6-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-carboxamide?
The InChIKey is HDKGSPHJOZFXBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2O3/c14-13(15,16)8-18(10-3-5-21-6-4-10)12(20)9-1-2-11(19)17-7-9/h1-2,7,10H,3-6,8H2,(H,17,19).
What are the key properties of N-(oxan-4-yl)-6-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-carboxamide?
N-(oxan-4-yl)-6-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-carboxamide has a molecular weight of 304.27 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-4-yl)-6-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 90554644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).