N-methoxy-N-methyl-6-[4-(oxolan-2-yl)phenoxy]-2-(trifluoromethyl)pyridine-3-carboxamide

C19H19F3N2O4 — CID 142410797

IUPACN-methoxy-N-methyl-6-[4-(oxolan-2-yl)phenoxy]-2-(trifluoromethyl)pyridine-3-carboxamide
SMILESCON(C)C(=O)c1ccc(Oc2ccc(C3CCCO3)cc2)nc1C(F)(F)F
InChIInChI=1S/C19H19F3N2O4/c1-24(26-2)18(25)14-9-10-16(23-17(14)19(20,21)22)28-13-7-5-12(6-8-13)15-4-3-11-27-15/h5-10,15H,3-4,11H2,1-2H3
InChIKeyJKGPHTOKUJBAND-UHFFFAOYSA-N
MW396.37 g/mol
LogP4.38
Rot. Bonds5

About N-methoxy-N-methyl-6-[4-(oxolan-2-yl)phenoxy]-2-(trifluoromethyl)pyridine-3-carboxamide

N-methoxy-N-methyl-6-[4-(oxolan-2-yl)phenoxy]-2-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 142410797) has the molecular formula C19H19F3N2O4 and a molecular weight of 396.37 g/mol. Its IUPAC name is N-methoxy-N-methyl-6-[4-(oxolan-2-yl)phenoxy]-2-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-methoxy-N-methyl-6-[4-(oxolan-2-yl)phenoxy]-2-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID142410797
Molecular FormulaC19H19F3N2O4
Molecular Weight396.37 g/mol
Exact Mass396.13
IUPAC NameN-methoxy-N-methyl-6-[4-(oxolan-2-yl)phenoxy]-2-(trifluoromethyl)pyridine-3-carboxamide
SMILESCON(C)C(=O)c1ccc(Oc2ccc(C3CCCO3)cc2)nc1C(F)(F)F
InChIInChI=1S/C19H19F3N2O4/c1-24(26-2)18(25)14-9-10-16(23-17(14)19(20,21)22)28-13-7-5-12(6-8-13)15-4-3-11-27-15/h5-10,15H,3-4,11H2,1-2H3
InChIKeyJKGPHTOKUJBAND-UHFFFAOYSA-N
XLogP4.38
TPSA60.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.37
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methoxy-N-methyl-6-[4-(oxolan-2-yl)phenoxy]-2-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of N-methoxy-N-methyl-6-[4-(oxolan-2-yl)phenoxy]-2-(trifluoromethyl)pyridine-3-carboxamide (CID 142410797) is N-methoxy-N-methyl-6-[4-(oxolan-2-yl)phenoxy]-2-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-methoxy-N-methyl-6-[4-(oxolan-2-yl)phenoxy]-2-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for N-methoxy-N-methyl-6-[4-(oxolan-2-yl)phenoxy]-2-(trifluoromethyl)pyridine-3-carboxamide is CON(C)C(=O)c1ccc(Oc2ccc(C3CCCO3)cc2)nc1C(F)(F)F.
What is the InChIKey of N-methoxy-N-methyl-6-[4-(oxolan-2-yl)phenoxy]-2-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is JKGPHTOKUJBAND-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N2O4/c1-24(26-2)18(25)14-9-10-16(23-17(14)19(20,21)22)28-13-7-5-12(6-8-13)15-4-3-11-27-15/h5-10,15H,3-4,11H2,1-2H3.
What are the key properties of N-methoxy-N-methyl-6-[4-(oxolan-2-yl)phenoxy]-2-(trifluoromethyl)pyridine-3-carboxamide?
N-methoxy-N-methyl-6-[4-(oxolan-2-yl)phenoxy]-2-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 396.37 g/mol, XLogP of 4.38, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-N-methyl-6-[4-(oxolan-2-yl)phenoxy]-2-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 142410797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).