5-(4-fluoro-2-methylbut-3-yn-2-yl)-2-(3,3,3-trifluoropropylamino)pyridine-3-carboxamide

C14H15F4N3O — CID 118599241

IUPAC5-(4-fluoro-2-methylbut-3-yn-2-yl)-2-(3,3,3-trifluoropropylamino)pyridine-3-carboxamide
SMILESCC(C)(C#CF)c1cnc(NCCC(F)(F)F)c(C(N)=O)c1
InChIInChI=1S/C14H15F4N3O/c1-13(2,3-5-15)9-7-10(11(19)22)12(21-8-9)20-6-4-14(16,17)18/h7-8H,4,6H2,1-2H3,(H2,19,22)(H,20,21)
InChIKeyNBJILVKUOYJSON-UHFFFAOYSA-N
MW317.29 g/mol
LogP2.75
Rot. Bonds5

About 5-(4-fluoro-2-methylbut-3-yn-2-yl)-2-(3,3,3-trifluoropropylamino)pyridine-3-carboxamide

5-(4-fluoro-2-methylbut-3-yn-2-yl)-2-(3,3,3-trifluoropropylamino)pyridine-3-carboxamide (PubChem CID 118599241) has the molecular formula C14H15F4N3O and a molecular weight of 317.29 g/mol. Its IUPAC name is 5-(4-fluoro-2-methylbut-3-yn-2-yl)-2-(3,3,3-trifluoropropylamino)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(4-fluoro-2-methylbut-3-yn-2-yl)-2-(3,3,3-trifluoropropylamino)pyridine-3-carboxamide
PubChem CID118599241
Molecular FormulaC14H15F4N3O
Molecular Weight317.29 g/mol
Exact Mass317.12
IUPAC Name5-(4-fluoro-2-methylbut-3-yn-2-yl)-2-(3,3,3-trifluoropropylamino)pyridine-3-carboxamide
SMILESCC(C)(C#CF)c1cnc(NCCC(F)(F)F)c(C(N)=O)c1
InChIInChI=1S/C14H15F4N3O/c1-13(2,3-5-15)9-7-10(11(19)22)12(21-8-9)20-6-4-14(16,17)18/h7-8H,4,6H2,1-2H3,(H2,19,22)(H,20,21)
InChIKeyNBJILVKUOYJSON-UHFFFAOYSA-N
XLogP2.75
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.29
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 5-(4-fluoro-2-methylbut-3-yn-2-yl)-2-(3,3,3-trifluoropropylamino)pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluoro-2-methylbut-3-yn-2-yl)-2-(3,3,3-trifluoropropylamino)pyridine-3-carboxamide?
The IUPAC name of 5-(4-fluoro-2-methylbut-3-yn-2-yl)-2-(3,3,3-trifluoropropylamino)pyridine-3-carboxamide (CID 118599241) is 5-(4-fluoro-2-methylbut-3-yn-2-yl)-2-(3,3,3-trifluoropropylamino)pyridine-3-carboxamide.
What is the SMILES notation for 5-(4-fluoro-2-methylbut-3-yn-2-yl)-2-(3,3,3-trifluoropropylamino)pyridine-3-carboxamide?
The canonical SMILES for 5-(4-fluoro-2-methylbut-3-yn-2-yl)-2-(3,3,3-trifluoropropylamino)pyridine-3-carboxamide is CC(C)(C#CF)c1cnc(NCCC(F)(F)F)c(C(N)=O)c1.
What is the InChIKey of 5-(4-fluoro-2-methylbut-3-yn-2-yl)-2-(3,3,3-trifluoropropylamino)pyridine-3-carboxamide?
The InChIKey is NBJILVKUOYJSON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F4N3O/c1-13(2,3-5-15)9-7-10(11(19)22)12(21-8-9)20-6-4-14(16,17)18/h7-8H,4,6H2,1-2H3,(H2,19,22)(H,20,21).
What are the key properties of 5-(4-fluoro-2-methylbut-3-yn-2-yl)-2-(3,3,3-trifluoropropylamino)pyridine-3-carboxamide?
5-(4-fluoro-2-methylbut-3-yn-2-yl)-2-(3,3,3-trifluoropropylamino)pyridine-3-carboxamide has a molecular weight of 317.29 g/mol, XLogP of 2.75, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluoro-2-methylbut-3-yn-2-yl)-2-(3,3,3-trifluoropropylamino)pyridine-3-carboxamide is sourced from PubChem (CID 118599241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).