5-[4-(2,2,2-trifluoroethylamino)pentan-2-yl]pyridine-2-carboxamide

C13H18F3N3O — CID 69288768

IUPAC5-[4-(2,2,2-trifluoroethylamino)pentan-2-yl]pyridine-2-carboxamide
SMILESCC(CC(C)c1ccc(C(N)=O)nc1)NCC(F)(F)F
InChIInChI=1S/C13H18F3N3O/c1-8(5-9(2)19-7-13(14,15)16)10-3-4-11(12(17)20)18-6-10/h3-4,6,8-9,19H,5,7H2,1-2H3,(H2,17,20)
InChIKeyUTMQDDAJPLLREM-UHFFFAOYSA-N
MW289.30 g/mol
LogP2.21
Rot. Bonds6

About 5-[4-(2,2,2-trifluoroethylamino)pentan-2-yl]pyridine-2-carboxamide

5-[4-(2,2,2-trifluoroethylamino)pentan-2-yl]pyridine-2-carboxamide (PubChem CID 69288768) has the molecular formula C13H18F3N3O and a molecular weight of 289.30 g/mol. Its IUPAC name is 5-[4-(2,2,2-trifluoroethylamino)pentan-2-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-[4-(2,2,2-trifluoroethylamino)pentan-2-yl]pyridine-2-carboxamide
PubChem CID69288768
Molecular FormulaC13H18F3N3O
Molecular Weight289.30 g/mol
Exact Mass289.14
IUPAC Name5-[4-(2,2,2-trifluoroethylamino)pentan-2-yl]pyridine-2-carboxamide
SMILESCC(CC(C)c1ccc(C(N)=O)nc1)NCC(F)(F)F
InChIInChI=1S/C13H18F3N3O/c1-8(5-9(2)19-7-13(14,15)16)10-3-4-11(12(17)20)18-6-10/h3-4,6,8-9,19H,5,7H2,1-2H3,(H2,17,20)
InChIKeyUTMQDDAJPLLREM-UHFFFAOYSA-N
XLogP2.21
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(2,2,2-trifluoroethylamino)pentan-2-yl]pyridine-2-carboxamide?
The IUPAC name of 5-[4-(2,2,2-trifluoroethylamino)pentan-2-yl]pyridine-2-carboxamide (CID 69288768) is 5-[4-(2,2,2-trifluoroethylamino)pentan-2-yl]pyridine-2-carboxamide.
What is the SMILES notation for 5-[4-(2,2,2-trifluoroethylamino)pentan-2-yl]pyridine-2-carboxamide?
The canonical SMILES for 5-[4-(2,2,2-trifluoroethylamino)pentan-2-yl]pyridine-2-carboxamide is CC(CC(C)c1ccc(C(N)=O)nc1)NCC(F)(F)F.
What is the InChIKey of 5-[4-(2,2,2-trifluoroethylamino)pentan-2-yl]pyridine-2-carboxamide?
The InChIKey is UTMQDDAJPLLREM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N3O/c1-8(5-9(2)19-7-13(14,15)16)10-3-4-11(12(17)20)18-6-10/h3-4,6,8-9,19H,5,7H2,1-2H3,(H2,17,20).
What are the key properties of 5-[4-(2,2,2-trifluoroethylamino)pentan-2-yl]pyridine-2-carboxamide?
5-[4-(2,2,2-trifluoroethylamino)pentan-2-yl]pyridine-2-carboxamide has a molecular weight of 289.30 g/mol, XLogP of 2.21, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2,2,2-trifluoroethylamino)pentan-2-yl]pyridine-2-carboxamide is sourced from PubChem (CID 69288768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).