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4-amino-N-(4,4,4-trifluorobutan-2-yl)pyridine-3-carboxamide

C10H12F3N3O — CID 114131524

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC4-amino-N-(4,4,4-trifluorobutan-2-yl)pyridine-3-carboxamide
SMILESCC(CC(F)(F)F)NC(=O)c1cnccc1N
InChIInChI=1S/C10H12F3N3O/c1-6(4-10(11,12)13)16-9(17)7-5-15-3-2-8(7)14/h2-3,5-6H,4H2,1H3,(H2,14,15)(H,16,17)
InChIKeyNJYZYSUPLBLPKF-UHFFFAOYSA-N
MW247.22 g/mol
LogP1.73
Rot. Bonds3

About 4-amino-N-(4,4,4-trifluorobutan-2-yl)pyridine-3-carboxamide

4-amino-N-(4,4,4-trifluorobutan-2-yl)pyridine-3-carboxamide (PubChem CID 114131524) has the molecular formula C10H12F3N3O and a molecular weight of 247.22 g/mol. Its IUPAC name is 4-amino-N-(4,4,4-trifluorobutan-2-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-(4,4,4-trifluorobutan-2-yl)pyridine-3-carboxamide
PubChem CID114131524
Molecular FormulaC10H12F3N3O
Molecular Weight247.22 g/mol
Exact Mass247.09
IUPAC Name4-amino-N-(4,4,4-trifluorobutan-2-yl)pyridine-3-carboxamide
SMILESCC(CC(F)(F)F)NC(=O)c1cnccc1N
InChIInChI=1S/C10H12F3N3O/c1-6(4-10(11,12)13)16-9(17)7-5-15-3-2-8(7)14/h2-3,5-6H,4H2,1H3,(H2,14,15)(H,16,17)
InChIKeyNJYZYSUPLBLPKF-UHFFFAOYSA-N
XLogP1.73
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.22
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(4,4,4-trifluorobutan-2-yl)pyridine-3-carboxamide?
The IUPAC name of 4-amino-N-(4,4,4-trifluorobutan-2-yl)pyridine-3-carboxamide (CID 114131524) is 4-amino-N-(4,4,4-trifluorobutan-2-yl)pyridine-3-carboxamide.
What is the SMILES notation for 4-amino-N-(4,4,4-trifluorobutan-2-yl)pyridine-3-carboxamide?
The canonical SMILES for 4-amino-N-(4,4,4-trifluorobutan-2-yl)pyridine-3-carboxamide is CC(CC(F)(F)F)NC(=O)c1cnccc1N.
What is the InChIKey of 4-amino-N-(4,4,4-trifluorobutan-2-yl)pyridine-3-carboxamide?
The InChIKey is NJYZYSUPLBLPKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3O/c1-6(4-10(11,12)13)16-9(17)7-5-15-3-2-8(7)14/h2-3,5-6H,4H2,1H3,(H2,14,15)(H,16,17).
What are the key properties of 4-amino-N-(4,4,4-trifluorobutan-2-yl)pyridine-3-carboxamide?
4-amino-N-(4,4,4-trifluorobutan-2-yl)pyridine-3-carboxamide has a molecular weight of 247.22 g/mol, XLogP of 1.73, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(4,4,4-trifluorobutan-2-yl)pyridine-3-carboxamide is sourced from PubChem (CID 114131524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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