2-(2-methoxyethylamino)-6-(trifluoromethyl)pyridine-3-carboxamide

C10H12F3N3O2 — CID 79869543

IUPAC2-(2-methoxyethylamino)-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCOCCNc1nc(C(F)(F)F)ccc1C(N)=O
InChIInChI=1S/C10H12F3N3O2/c1-18-5-4-15-9-6(8(14)17)2-3-7(16-9)10(11,12)13/h2-3H,4-5H2,1H3,(H2,14,17)(H,15,16)
InChIKeyXLLJJNQBFYNEME-UHFFFAOYSA-N
MW263.22 g/mol
LogP1.26
Rot. Bonds5

About 2-(2-methoxyethylamino)-6-(trifluoromethyl)pyridine-3-carboxamide

2-(2-methoxyethylamino)-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 79869543) has the molecular formula C10H12F3N3O2 and a molecular weight of 263.22 g/mol. Its IUPAC name is 2-(2-methoxyethylamino)-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(2-methoxyethylamino)-6-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID79869543
Molecular FormulaC10H12F3N3O2
Molecular Weight263.22 g/mol
Exact Mass263.09
IUPAC Name2-(2-methoxyethylamino)-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCOCCNc1nc(C(F)(F)F)ccc1C(N)=O
InChIInChI=1S/C10H12F3N3O2/c1-18-5-4-15-9-6(8(14)17)2-3-7(16-9)10(11,12)13/h2-3H,4-5H2,1H3,(H2,14,17)(H,15,16)
InChIKeyXLLJJNQBFYNEME-UHFFFAOYSA-N
XLogP1.26
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.22
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(3-aminopropylamino)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 79877730
2-(4-methylpentylamino)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 79868797
2-(hexylamino)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 79869081
2-[2-[methyl(propan-2-yl)amino]ethylamino]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 79875508
2-[[3-(dimethylamino)-3-oxopropyl]amino]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 79875486
2-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 106277197
2-(2-methylpropylamino)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 79869612
2-(cyclopentylmethylamino)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 79868718
2-[(2-hydroxy-2-methylbutyl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 79876734
2-(2,3-dimethylbutylamino)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 79868802
2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 79875124
2-[(3-hydroxy-2-methylpropyl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 79869147

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethylamino)-6-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of 2-(2-methoxyethylamino)-6-(trifluoromethyl)pyridine-3-carboxamide (CID 79869543) is 2-(2-methoxyethylamino)-6-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-(2-methoxyethylamino)-6-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for 2-(2-methoxyethylamino)-6-(trifluoromethyl)pyridine-3-carboxamide is COCCNc1nc(C(F)(F)F)ccc1C(N)=O.
What is the InChIKey of 2-(2-methoxyethylamino)-6-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is XLLJJNQBFYNEME-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3O2/c1-18-5-4-15-9-6(8(14)17)2-3-7(16-9)10(11,12)13/h2-3H,4-5H2,1H3,(H2,14,17)(H,15,16).
What are the key properties of 2-(2-methoxyethylamino)-6-(trifluoromethyl)pyridine-3-carboxamide?
2-(2-methoxyethylamino)-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 263.22 g/mol, XLogP of 1.26, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethylamino)-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 79869543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).