2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-6-(trifluoromethyl)pyridine-3-carboxamide

C13H17F3N2O3 — CID 115942033

IUPAC2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCC(C)(C)OCCOc1nc(C(F)(F)F)ccc1C(N)=O
InChIInChI=1S/C13H17F3N2O3/c1-12(2,3)21-7-6-20-11-8(10(17)19)4-5-9(18-11)13(14,15)16/h4-5H,6-7H2,1-3H3,(H2,17,19)
InChIKeyYBCIDNZCARMYGT-UHFFFAOYSA-N
MW306.28 g/mol
LogP2.39
Rot. Bonds5

About 2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-6-(trifluoromethyl)pyridine-3-carboxamide

2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 115942033) has the molecular formula C13H17F3N2O3 and a molecular weight of 306.28 g/mol. Its IUPAC name is 2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-6-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID115942033
Molecular FormulaC13H17F3N2O3
Molecular Weight306.28 g/mol
Exact Mass306.12
IUPAC Name2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCC(C)(C)OCCOc1nc(C(F)(F)F)ccc1C(N)=O
InChIInChI=1S/C13H17F3N2O3/c1-12(2,3)21-7-6-20-11-8(10(17)19)4-5-9(18-11)13(14,15)16/h4-5H,6-7H2,1-3H3,(H2,17,19)
InChIKeyYBCIDNZCARMYGT-UHFFFAOYSA-N
XLogP2.39
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.28
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-6-(trifluoromethyl)pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-pentoxy-6-(trifluoromethyl)pyridine-3-carboxamide
CID 79869695
2-[2-(diethylamino)ethoxy]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 79876173
2-[2-(dimethylamino)-2-methylpropoxy]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 79876340
2-(2-propan-2-yloxyethoxy)-6-(trifluoromethyl)pyridine-3-carbothioamide
CID 79877115
2-(2-hydroxyethoxy)-6-(trifluoromethyl)pyridine-3-carbothioamide
CID 79877386
2-(2-methoxyethylamino)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 79869543
1-[2-(3-ethylsulfonylpropoxy)-6-(trifluoromethyl)-3-pyridinyl]ethanone
CID 167783025
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-(2-propoxyethoxy)-6-(trifluoromethyl)pyridine-3-carboximidamide
CID 79877333
2-bromo-6-(trifluoromethyl)pyridine-3-carboxamide
CID 50878544
2-azido-6-(trifluoromethyl)pyridine-3-carboxamide
CID 80583396

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-6-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of 2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-6-(trifluoromethyl)pyridine-3-carboxamide (CID 115942033) is 2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-6-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-6-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for 2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-6-(trifluoromethyl)pyridine-3-carboxamide is CC(C)(C)OCCOc1nc(C(F)(F)F)ccc1C(N)=O.
What is the InChIKey of 2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-6-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is YBCIDNZCARMYGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O3/c1-12(2,3)21-7-6-20-11-8(10(17)19)4-5-9(18-11)13(14,15)16/h4-5H,6-7H2,1-3H3,(H2,17,19).
What are the key properties of 2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-6-(trifluoromethyl)pyridine-3-carboxamide?
2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 306.28 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 115942033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).