N,N-dimethyl-6-[2-(2,2,2-trifluoroethoxy)ethylamino]pyridine-3-carboxamide

C12H16F3N3O2 — CID 78956359

IUPACN,N-dimethyl-6-[2-(2,2,2-trifluoroethoxy)ethylamino]pyridine-3-carboxamide
SMILESCN(C)C(=O)c1ccc(NCCOCC(F)(F)F)nc1
InChIInChI=1S/C12H16F3N3O2/c1-18(2)11(19)9-3-4-10(17-7-9)16-5-6-20-8-12(13,14)15/h3-4,7H,5-6,8H2,1-2H3,(H,16,17)
InChIKeyYQWDSSOQJNQDFA-UHFFFAOYSA-N
MW291.27 g/mol
LogP1.77
Rot. Bonds6

About N,N-dimethyl-6-[2-(2,2,2-trifluoroethoxy)ethylamino]pyridine-3-carboxamide

N,N-dimethyl-6-[2-(2,2,2-trifluoroethoxy)ethylamino]pyridine-3-carboxamide (PubChem CID 78956359) has the molecular formula C12H16F3N3O2 and a molecular weight of 291.27 g/mol. Its IUPAC name is N,N-dimethyl-6-[2-(2,2,2-trifluoroethoxy)ethylamino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-6-[2-(2,2,2-trifluoroethoxy)ethylamino]pyridine-3-carboxamide
PubChem CID78956359
Molecular FormulaC12H16F3N3O2
Molecular Weight291.27 g/mol
Exact Mass291.12
IUPAC NameN,N-dimethyl-6-[2-(2,2,2-trifluoroethoxy)ethylamino]pyridine-3-carboxamide
SMILESCN(C)C(=O)c1ccc(NCCOCC(F)(F)F)nc1
InChIInChI=1S/C12H16F3N3O2/c1-18(2)11(19)9-3-4-10(17-7-9)16-5-6-20-8-12(13,14)15/h3-4,7H,5-6,8H2,1-2H3,(H,16,17)
InChIKeyYQWDSSOQJNQDFA-UHFFFAOYSA-N
XLogP1.77
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.27
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-[2-(2-amino-2-oxoethoxy)ethylamino]-N,N-dimethylpyridine-3-carboxamide
CID 106239261
N,N-dimethyl-6-(5,5,5-trifluoropentylamino)pyridine-3-carboxamide
CID 115486588
5-fluoro-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridin-2-amine
CID 63827023
6-(6-hydroxyhexylamino)-N,N-dimethylpyridine-3-carboxamide
CID 103918113
6-[2-(4-fluorophenyl)ethylamino]-N,N-dimethylpyridine-3-carboxamide
CID 78956160
N,N-dimethyl-4-[2-(2,2,2-trifluoroethoxy)ethylamino]pyridine-2-carboxamide
CID 63828084
6-[(2-hydroxy-3,3-dimethylbutyl)amino]-N,N-dimethylpyridine-3-carboxamide
CID 133302747
6-[(2-hydroxy-2-methylbutyl)amino]-N,N-dimethylpyridine-3-carboxamide
CID 78958778
6-[3-(2,2,2-trifluoroethoxy)propanoylamino]pyridine-3-carboxylic acid
CID 61317563
6-[(4-fluorophenyl)methylamino]-N,N-dimethylpyridine-3-carboxamide
CID 78956311
6-[2-(2-methylprop-2-enoxy)ethylamino]pyridine-3-carboxylic acid
CID 114468121
6-[2-(ethylsulfamoyl)ethylamino]-N,N-dimethylpyridine-3-carboxamide
CID 103918035

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-6-[2-(2,2,2-trifluoroethoxy)ethylamino]pyridine-3-carboxamide?
The IUPAC name of N,N-dimethyl-6-[2-(2,2,2-trifluoroethoxy)ethylamino]pyridine-3-carboxamide (CID 78956359) is N,N-dimethyl-6-[2-(2,2,2-trifluoroethoxy)ethylamino]pyridine-3-carboxamide.
What is the SMILES notation for N,N-dimethyl-6-[2-(2,2,2-trifluoroethoxy)ethylamino]pyridine-3-carboxamide?
The canonical SMILES for N,N-dimethyl-6-[2-(2,2,2-trifluoroethoxy)ethylamino]pyridine-3-carboxamide is CN(C)C(=O)c1ccc(NCCOCC(F)(F)F)nc1.
What is the InChIKey of N,N-dimethyl-6-[2-(2,2,2-trifluoroethoxy)ethylamino]pyridine-3-carboxamide?
The InChIKey is YQWDSSOQJNQDFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3O2/c1-18(2)11(19)9-3-4-10(17-7-9)16-5-6-20-8-12(13,14)15/h3-4,7H,5-6,8H2,1-2H3,(H,16,17).
What are the key properties of N,N-dimethyl-6-[2-(2,2,2-trifluoroethoxy)ethylamino]pyridine-3-carboxamide?
N,N-dimethyl-6-[2-(2,2,2-trifluoroethoxy)ethylamino]pyridine-3-carboxamide has a molecular weight of 291.27 g/mol, XLogP of 1.77, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-6-[2-(2,2,2-trifluoroethoxy)ethylamino]pyridine-3-carboxamide is sourced from PubChem (CID 78956359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).