6-fluoro-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide

C13H16F4N2O — CID 63978005

IUPAC6-fluoro-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
SMILESCCC(CC)N(CC(F)(F)F)C(=O)c1ccc(F)nc1
InChIInChI=1S/C13H16F4N2O/c1-3-10(4-2)19(8-13(15,16)17)12(20)9-5-6-11(14)18-7-9/h5-7,10H,3-4,8H2,1-2H3
InChIKeyHHWOWHIOQXLXNH-UHFFFAOYSA-N
MW292.28 g/mol
LogP3.41
Rot. Bonds5

About 6-fluoro-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide

6-fluoro-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide (PubChem CID 63978005) has the molecular formula C13H16F4N2O and a molecular weight of 292.28 g/mol. Its IUPAC name is 6-fluoro-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-fluoro-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
PubChem CID63978005
Molecular FormulaC13H16F4N2O
Molecular Weight292.28 g/mol
Exact Mass292.12
IUPAC Name6-fluoro-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
SMILESCCC(CC)N(CC(F)(F)F)C(=O)c1ccc(F)nc1
InChIInChI=1S/C13H16F4N2O/c1-3-10(4-2)19(8-13(15,16)17)12(20)9-5-6-11(14)18-7-9/h5-7,10H,3-4,8H2,1-2H3
InChIKeyHHWOWHIOQXLXNH-UHFFFAOYSA-N
XLogP3.41
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.28
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide?
The IUPAC name of 6-fluoro-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide (CID 63978005) is 6-fluoro-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-fluoro-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide?
The canonical SMILES for 6-fluoro-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide is CCC(CC)N(CC(F)(F)F)C(=O)c1ccc(F)nc1.
What is the InChIKey of 6-fluoro-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide?
The InChIKey is HHWOWHIOQXLXNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F4N2O/c1-3-10(4-2)19(8-13(15,16)17)12(20)9-5-6-11(14)18-7-9/h5-7,10H,3-4,8H2,1-2H3.
What are the key properties of 6-fluoro-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide?
6-fluoro-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide has a molecular weight of 292.28 g/mol, XLogP of 3.41, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide is sourced from PubChem (CID 63978005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).