2-(ethylamino)-N-(5,5,5-trifluoropentyl)pyridine-3-carboxamide

C13H18F3N3O — CID 115522135

IUPAC2-(ethylamino)-N-(5,5,5-trifluoropentyl)pyridine-3-carboxamide
SMILESCCNc1ncccc1C(=O)NCCCCC(F)(F)F
InChIInChI=1S/C13H18F3N3O/c1-2-17-11-10(6-5-9-18-11)12(20)19-8-4-3-7-13(14,15)16/h5-6,9H,2-4,7-8H2,1H3,(H,17,18)(H,19,20)
InChIKeyWFIKWPFOCJNRAP-UHFFFAOYSA-N
MW289.30 g/mol
LogP2.98
Rot. Bonds7

About 2-(ethylamino)-N-(5,5,5-trifluoropentyl)pyridine-3-carboxamide

2-(ethylamino)-N-(5,5,5-trifluoropentyl)pyridine-3-carboxamide (PubChem CID 115522135) has the molecular formula C13H18F3N3O and a molecular weight of 289.30 g/mol. Its IUPAC name is 2-(ethylamino)-N-(5,5,5-trifluoropentyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(ethylamino)-N-(5,5,5-trifluoropentyl)pyridine-3-carboxamide
PubChem CID115522135
Molecular FormulaC13H18F3N3O
Molecular Weight289.30 g/mol
Exact Mass289.14
IUPAC Name2-(ethylamino)-N-(5,5,5-trifluoropentyl)pyridine-3-carboxamide
SMILESCCNc1ncccc1C(=O)NCCCCC(F)(F)F
InChIInChI=1S/C13H18F3N3O/c1-2-17-11-10(6-5-9-18-11)12(20)19-8-4-3-7-13(14,15)16/h5-6,9H,2-4,7-8H2,1H3,(H,17,18)(H,19,20)
InChIKeyWFIKWPFOCJNRAP-UHFFFAOYSA-N
XLogP2.98
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(ethylamino)-N-(2-pyridin-2-ylethyl)pyridine-3-carboxamide
CID 62173151
2-(ethylamino)-N-[3-oxo-3-(propylamino)propyl]pyridine-3-carboxamide
CID 62178636
2-(ethylamino)-N-[2-(ethylamino)-2-oxoethyl]pyridine-3-carboxamide
CID 62168328
2-(ethylamino)-N-(5,5,5-trifluoropentyl)pyridine-4-carboxamide
CID 115492102
2-fluoro-N-(5,5,5-trifluoropentyl)benzamide
CID 113322083
N-[2-[cyclopropyl(methyl)amino]ethyl]-2-(ethylamino)pyridine-3-carboxamide
CID 62978746
4-(ethylamino)-6-methyl-N-(5,5,5-trifluoropentyl)pyridine-3-carboxamide
CID 115522163
2-(ethylamino)-N-[2-(1,3-thiazol-4-yl)ethyl]pyridine-3-carboxamide
CID 63824011
N-(3-propoxypropyl)-2-(propylamino)pyridine-3-carboxamide
CID 82946727
2-(methylamino)-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-3-carboxamide
CID 114188299
2-(ethylamino)-3-fluoro-N-(4-methoxybutyl)pyridine-4-carboxamide
CID 105385379
2-(ethylamino)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide
CID 62165958

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-N-(5,5,5-trifluoropentyl)pyridine-3-carboxamide?
The IUPAC name of 2-(ethylamino)-N-(5,5,5-trifluoropentyl)pyridine-3-carboxamide (CID 115522135) is 2-(ethylamino)-N-(5,5,5-trifluoropentyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-(ethylamino)-N-(5,5,5-trifluoropentyl)pyridine-3-carboxamide?
The canonical SMILES for 2-(ethylamino)-N-(5,5,5-trifluoropentyl)pyridine-3-carboxamide is CCNc1ncccc1C(=O)NCCCCC(F)(F)F.
What is the InChIKey of 2-(ethylamino)-N-(5,5,5-trifluoropentyl)pyridine-3-carboxamide?
The InChIKey is WFIKWPFOCJNRAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N3O/c1-2-17-11-10(6-5-9-18-11)12(20)19-8-4-3-7-13(14,15)16/h5-6,9H,2-4,7-8H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 2-(ethylamino)-N-(5,5,5-trifluoropentyl)pyridine-3-carboxamide?
2-(ethylamino)-N-(5,5,5-trifluoropentyl)pyridine-3-carboxamide has a molecular weight of 289.30 g/mol, XLogP of 2.98, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-N-(5,5,5-trifluoropentyl)pyridine-3-carboxamide is sourced from PubChem (CID 115522135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).