6-(4-formylphenoxy)-N-methoxy-N-methyl-2-(trifluoromethyl)pyridine-3-carboxamide

C16H13F3N2O4 — CID 142410798

IUPAC6-(4-formylphenoxy)-N-methoxy-N-methyl-2-(trifluoromethyl)pyridine-3-carboxamide
SMILESCON(C)C(=O)c1ccc(Oc2ccc(C=O)cc2)nc1C(F)(F)F
InChIInChI=1S/C16H13F3N2O4/c1-21(24-2)15(23)12-7-8-13(20-14(12)16(17,18)19)25-11-5-3-10(9-22)4-6-11/h3-9H,1-2H3
InChIKeyMLDZZCITJUMZEY-UHFFFAOYSA-N
MW354.28 g/mol
LogP3.34
Rot. Bonds5

About 6-(4-formylphenoxy)-N-methoxy-N-methyl-2-(trifluoromethyl)pyridine-3-carboxamide

6-(4-formylphenoxy)-N-methoxy-N-methyl-2-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 142410798) has the molecular formula C16H13F3N2O4 and a molecular weight of 354.28 g/mol. Its IUPAC name is 6-(4-formylphenoxy)-N-methoxy-N-methyl-2-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(4-formylphenoxy)-N-methoxy-N-methyl-2-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID142410798
Molecular FormulaC16H13F3N2O4
Molecular Weight354.28 g/mol
Exact Mass354.08
IUPAC Name6-(4-formylphenoxy)-N-methoxy-N-methyl-2-(trifluoromethyl)pyridine-3-carboxamide
SMILESCON(C)C(=O)c1ccc(Oc2ccc(C=O)cc2)nc1C(F)(F)F
InChIInChI=1S/C16H13F3N2O4/c1-21(24-2)15(23)12-7-8-13(20-14(12)16(17,18)19)25-11-5-3-10(9-22)4-6-11/h3-9H,1-2H3
InChIKeyMLDZZCITJUMZEY-UHFFFAOYSA-N
XLogP3.34
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.28
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(4-formylphenoxy)-N-methoxy-N-methyl-2-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of 6-(4-formylphenoxy)-N-methoxy-N-methyl-2-(trifluoromethyl)pyridine-3-carboxamide (CID 142410798) is 6-(4-formylphenoxy)-N-methoxy-N-methyl-2-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-(4-formylphenoxy)-N-methoxy-N-methyl-2-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for 6-(4-formylphenoxy)-N-methoxy-N-methyl-2-(trifluoromethyl)pyridine-3-carboxamide is CON(C)C(=O)c1ccc(Oc2ccc(C=O)cc2)nc1C(F)(F)F.
What is the InChIKey of 6-(4-formylphenoxy)-N-methoxy-N-methyl-2-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is MLDZZCITJUMZEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N2O4/c1-21(24-2)15(23)12-7-8-13(20-14(12)16(17,18)19)25-11-5-3-10(9-22)4-6-11/h3-9H,1-2H3.
What are the key properties of 6-(4-formylphenoxy)-N-methoxy-N-methyl-2-(trifluoromethyl)pyridine-3-carboxamide?
6-(4-formylphenoxy)-N-methoxy-N-methyl-2-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 354.28 g/mol, XLogP of 3.34, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-formylphenoxy)-N-methoxy-N-methyl-2-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 142410798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).