N-(2-methoxyethyl)-5-(trifluoromethyl)pyridine-2-carboxamide

C10H11F3N2O2 — CID 154762971

IUPACN-(2-methoxyethyl)-5-(trifluoromethyl)pyridine-2-carboxamide
SMILESCOCCNC(=O)c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C10H11F3N2O2/c1-17-5-4-14-9(16)8-3-2-7(6-15-8)10(11,12)13/h2-3,6H,4-5H2,1H3,(H,14,16)
InChIKeyVJMOORHSDIOTIL-UHFFFAOYSA-N
MW248.20 g/mol
LogP1.48
Rot. Bonds4

About N-(2-methoxyethyl)-5-(trifluoromethyl)pyridine-2-carboxamide

N-(2-methoxyethyl)-5-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 154762971) has the molecular formula C10H11F3N2O2 and a molecular weight of 248.20 g/mol. Its IUPAC name is N-(2-methoxyethyl)-5-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-5-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID154762971
Molecular FormulaC10H11F3N2O2
Molecular Weight248.20 g/mol
Exact Mass248.08
IUPAC NameN-(2-methoxyethyl)-5-(trifluoromethyl)pyridine-2-carboxamide
SMILESCOCCNC(=O)c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C10H11F3N2O2/c1-17-5-4-14-9(16)8-3-2-7(6-15-8)10(11,12)13/h2-3,6H,4-5H2,1H3,(H,14,16)
InChIKeyVJMOORHSDIOTIL-UHFFFAOYSA-N
XLogP1.48
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.20
LogP ≤ 51.48
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

N-(2-methoxyethoxy)-5-(trifluoromethyl)pyridine-2-carboxamide
CID 113249806
N-[2-(ethylamino)ethyl]-5-(trifluoromethyl)pyridine-2-carboxamide
CID 113265555
5-[2-chloro-5-(trifluoromethyl)anilino]-N-(2-methoxyethyl)pyridine-2-carboxamide
CID 109183964
N-[3-(2-chloroethoxy)propyl]-5-(trifluoromethyl)pyridine-2-carboxamide
CID 106306680
N-(4-aminobutyl)-5-(trifluoromethyl)pyridine-2-carboxamide
CID 113368697
N-(2-methoxyethyl)-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide
CID 24531729
N-(6-iodohexyl)-5-(trifluoromethyl)pyridine-2-carboxamide
CID 107848615
5-bromo-N-(2-methoxyethyl)pyridine-2-carboxamide
CID 62954201
N-(4-bromopentyl)-5-(trifluoromethyl)pyridine-2-carboxamide
CID 106130786
4-methoxy-1-[5-(trifluoromethyl)-2-pyridinyl]butan-1-one
CID 105135540
N-pent-4-ynyl-5-(trifluoromethyl)pyridine-2-carboxamide
CID 113245115
N-(2-azidoethyl)-5-(trifluoromethyl)pyridine-2-carboxamide
CID 114909276

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-5-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-5-(trifluoromethyl)pyridine-2-carboxamide (CID 154762971) is N-(2-methoxyethyl)-5-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-5-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-5-(trifluoromethyl)pyridine-2-carboxamide is COCCNC(=O)c1ccc(C(F)(F)F)cn1.
What is the InChIKey of N-(2-methoxyethyl)-5-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is VJMOORHSDIOTIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O2/c1-17-5-4-14-9(16)8-3-2-7(6-15-8)10(11,12)13/h2-3,6H,4-5H2,1H3,(H,14,16).
What are the key properties of N-(2-methoxyethyl)-5-(trifluoromethyl)pyridine-2-carboxamide?
N-(2-methoxyethyl)-5-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 248.20 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-5-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 154762971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).