N,N-dimethyl-6-(5,5,5-trifluoropentylamino)pyridine-3-carboxamide

C13H18F3N3O — CID 115486588

IUPACN,N-dimethyl-6-(5,5,5-trifluoropentylamino)pyridine-3-carboxamide
SMILESCN(C)C(=O)c1ccc(NCCCCC(F)(F)F)nc1
InChIInChI=1S/C13H18F3N3O/c1-19(2)12(20)10-5-6-11(18-9-10)17-8-4-3-7-13(14,15)16/h5-6,9H,3-4,7-8H2,1-2H3,(H,17,18)
InChIKeyFYLDAMIVPPHUDA-UHFFFAOYSA-N
MW289.30 g/mol
LogP2.93
Rot. Bonds6

About N,N-dimethyl-6-(5,5,5-trifluoropentylamino)pyridine-3-carboxamide

N,N-dimethyl-6-(5,5,5-trifluoropentylamino)pyridine-3-carboxamide (PubChem CID 115486588) has the molecular formula C13H18F3N3O and a molecular weight of 289.30 g/mol. Its IUPAC name is N,N-dimethyl-6-(5,5,5-trifluoropentylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-6-(5,5,5-trifluoropentylamino)pyridine-3-carboxamide
PubChem CID115486588
Molecular FormulaC13H18F3N3O
Molecular Weight289.30 g/mol
Exact Mass289.14
IUPAC NameN,N-dimethyl-6-(5,5,5-trifluoropentylamino)pyridine-3-carboxamide
SMILESCN(C)C(=O)c1ccc(NCCCCC(F)(F)F)nc1
InChIInChI=1S/C13H18F3N3O/c1-19(2)12(20)10-5-6-11(18-9-10)17-8-4-3-7-13(14,15)16/h5-6,9H,3-4,7-8H2,1-2H3,(H,17,18)
InChIKeyFYLDAMIVPPHUDA-UHFFFAOYSA-N
XLogP2.93
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-(6-hydroxyhexylamino)-N,N-dimethylpyridine-3-carboxamide
CID 103918113
N,N-dimethyl-6-[2-(2,2,2-trifluoroethoxy)ethylamino]pyridine-3-carboxamide
CID 78956359
ethyl 6-(4,4,4-trifluorobutylamino)pyridine-3-carboxylate
CID 79040244
6-(methylamino)-N-(5,5,5-trifluoropentyl)pyridine-3-carboxamide
CID 115522150
6-[2-(4-fluorophenyl)ethylamino]-N,N-dimethylpyridine-3-carboxamide
CID 78956160
6-[(2-hydroxy-2-propylpentyl)amino]-N,N-dimethylpyridine-3-carboxamide
CID 111435885
6-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propylamino]-N,N-dimethylpyridine-3-carboxamide
CID 133347459
6-[(2-hydroxy-2-methylbutyl)amino]-N,N-dimethylpyridine-3-carboxamide
CID 78958778
6-[(2-hydroxy-3,3-dimethylbutyl)amino]-N,N-dimethylpyridine-3-carboxamide
CID 133302747
6-[(4-fluorophenyl)methylamino]-N,N-dimethylpyridine-3-carboxamide
CID 78956311
6-[2-(2-amino-2-oxoethoxy)ethylamino]-N,N-dimethylpyridine-3-carboxamide
CID 106239261
6-[2-(ethylsulfamoyl)ethylamino]-N,N-dimethylpyridine-3-carboxamide
CID 103918035

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-6-(5,5,5-trifluoropentylamino)pyridine-3-carboxamide?
The IUPAC name of N,N-dimethyl-6-(5,5,5-trifluoropentylamino)pyridine-3-carboxamide (CID 115486588) is N,N-dimethyl-6-(5,5,5-trifluoropentylamino)pyridine-3-carboxamide.
What is the SMILES notation for N,N-dimethyl-6-(5,5,5-trifluoropentylamino)pyridine-3-carboxamide?
The canonical SMILES for N,N-dimethyl-6-(5,5,5-trifluoropentylamino)pyridine-3-carboxamide is CN(C)C(=O)c1ccc(NCCCCC(F)(F)F)nc1.
What is the InChIKey of N,N-dimethyl-6-(5,5,5-trifluoropentylamino)pyridine-3-carboxamide?
The InChIKey is FYLDAMIVPPHUDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N3O/c1-19(2)12(20)10-5-6-11(18-9-10)17-8-4-3-7-13(14,15)16/h5-6,9H,3-4,7-8H2,1-2H3,(H,17,18).
What are the key properties of N,N-dimethyl-6-(5,5,5-trifluoropentylamino)pyridine-3-carboxamide?
N,N-dimethyl-6-(5,5,5-trifluoropentylamino)pyridine-3-carboxamide has a molecular weight of 289.30 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-6-(5,5,5-trifluoropentylamino)pyridine-3-carboxamide is sourced from PubChem (CID 115486588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).