2-(ethylamino)-N-(5,5,5-trifluoropentyl)pyridine-4-carboxamide

C13H18F3N3O — CID 115492102

IUPAC2-(ethylamino)-N-(5,5,5-trifluoropentyl)pyridine-4-carboxamide
SMILESCCNc1cc(C(=O)NCCCCC(F)(F)F)ccn1
InChIInChI=1S/C13H18F3N3O/c1-2-17-11-9-10(5-8-18-11)12(20)19-7-4-3-6-13(14,15)16/h5,8-9H,2-4,6-7H2,1H3,(H,17,18)(H,19,20)
InChIKeyNPHKJYMTUBWHRU-UHFFFAOYSA-N
MW289.30 g/mol
LogP2.98
Rot. Bonds7

About 2-(ethylamino)-N-(5,5,5-trifluoropentyl)pyridine-4-carboxamide

2-(ethylamino)-N-(5,5,5-trifluoropentyl)pyridine-4-carboxamide (PubChem CID 115492102) 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-4-carboxamide.

Molecular Properties

Compound Name2-(ethylamino)-N-(5,5,5-trifluoropentyl)pyridine-4-carboxamide
PubChem CID115492102
Molecular FormulaC13H18F3N3O
Molecular Weight289.30 g/mol
Exact Mass289.14
IUPAC Name2-(ethylamino)-N-(5,5,5-trifluoropentyl)pyridine-4-carboxamide
SMILESCCNc1cc(C(=O)NCCCCC(F)(F)F)ccn1
InChIInChI=1S/C13H18F3N3O/c1-2-17-11-9-10(5-8-18-11)12(20)19-7-4-3-6-13(14,15)16/h5,8-9H,2-4,6-7H2,1H3,(H,17,18)(H,19,20)
InChIKeyNPHKJYMTUBWHRU-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-amino-N-(5,5,5-trifluoropentyl)pyridine-4-carboxamide
CID 115522139
N-butyl-2-(propylamino)pyridine-4-carboxamide
CID 62185279
N-[2-(dimethylcarbamoylamino)ethyl]-2-(ethylamino)pyridine-4-carboxamide
CID 83115069
2-(ethylamino)-N-[3-oxo-3-(propylamino)propyl]pyridine-4-carboxamide
CID 62176334
2-(ethylamino)-N-(2-ethylsulfinylethyl)pyridine-4-carboxamide
CID 113252013
N-ethyl-2-(ethylamino)-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide
CID 62181870
N-[2-(dimethylamino)-2-methylpropyl]-2-(ethylamino)pyridine-4-carboxamide
CID 62177284
2-(ethylamino)-N-(5,5,5-trifluoropentyl)pyridine-3-carboxamide
CID 115522135
N-(4-amino-4-oxobutyl)-2-(propylamino)pyridine-4-carboxamide
CID 55046885
N-pentyl-2-[4-(trifluoromethyl)anilino]pyridine-4-carboxamide
CID 109175363
2-[(2-fluorophenyl)methylamino]-N-pentylpyridine-4-carboxamide
CID 109170487
N-[3-(dimethylamino)propyl]-2-(propylamino)pyridine-4-carboxamide
CID 55042326

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-N-(5,5,5-trifluoropentyl)pyridine-4-carboxamide?
The IUPAC name of 2-(ethylamino)-N-(5,5,5-trifluoropentyl)pyridine-4-carboxamide (CID 115492102) is 2-(ethylamino)-N-(5,5,5-trifluoropentyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-(ethylamino)-N-(5,5,5-trifluoropentyl)pyridine-4-carboxamide?
The canonical SMILES for 2-(ethylamino)-N-(5,5,5-trifluoropentyl)pyridine-4-carboxamide is CCNc1cc(C(=O)NCCCCC(F)(F)F)ccn1.
What is the InChIKey of 2-(ethylamino)-N-(5,5,5-trifluoropentyl)pyridine-4-carboxamide?
The InChIKey is NPHKJYMTUBWHRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N3O/c1-2-17-11-9-10(5-8-18-11)12(20)19-7-4-3-6-13(14,15)16/h5,8-9H,2-4,6-7H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 2-(ethylamino)-N-(5,5,5-trifluoropentyl)pyridine-4-carboxamide?
2-(ethylamino)-N-(5,5,5-trifluoropentyl)pyridine-4-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-4-carboxamide is sourced from PubChem (CID 115492102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).