2-[2-(diethylamino)ethoxy]-6-(trifluoromethyl)pyridine-3-carboxamide

C13H18F3N3O2 — CID 79876173

IUPAC2-[2-(diethylamino)ethoxy]-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCCN(CC)CCOc1nc(C(F)(F)F)ccc1C(N)=O
InChIInChI=1S/C13H18F3N3O2/c1-3-19(4-2)7-8-21-12-9(11(17)20)5-6-10(18-12)13(14,15)16/h5-6H,3-4,7-8H2,1-2H3,(H2,17,20)
InChIKeyOKYCLKCSQDRFPW-UHFFFAOYSA-N
MW305.30 g/mol
LogP1.92
Rot. Bonds7

About 2-[2-(diethylamino)ethoxy]-6-(trifluoromethyl)pyridine-3-carboxamide

2-[2-(diethylamino)ethoxy]-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 79876173) has the molecular formula C13H18F3N3O2 and a molecular weight of 305.30 g/mol. Its IUPAC name is 2-[2-(diethylamino)ethoxy]-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[2-(diethylamino)ethoxy]-6-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID79876173
Molecular FormulaC13H18F3N3O2
Molecular Weight305.30 g/mol
Exact Mass305.14
IUPAC Name2-[2-(diethylamino)ethoxy]-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCCN(CC)CCOc1nc(C(F)(F)F)ccc1C(N)=O
InChIInChI=1S/C13H18F3N3O2/c1-3-19(4-2)7-8-21-12-9(11(17)20)5-6-10(18-12)13(14,15)16/h5-6H,3-4,7-8H2,1-2H3,(H2,17,20)
InChIKeyOKYCLKCSQDRFPW-UHFFFAOYSA-N
XLogP1.92
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.30
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(diethylamino)ethoxy]-6-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of 2-[2-(diethylamino)ethoxy]-6-(trifluoromethyl)pyridine-3-carboxamide (CID 79876173) is 2-[2-(diethylamino)ethoxy]-6-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-[2-(diethylamino)ethoxy]-6-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for 2-[2-(diethylamino)ethoxy]-6-(trifluoromethyl)pyridine-3-carboxamide is CCN(CC)CCOc1nc(C(F)(F)F)ccc1C(N)=O.
What is the InChIKey of 2-[2-(diethylamino)ethoxy]-6-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is OKYCLKCSQDRFPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N3O2/c1-3-19(4-2)7-8-21-12-9(11(17)20)5-6-10(18-12)13(14,15)16/h5-6H,3-4,7-8H2,1-2H3,(H2,17,20).
What are the key properties of 2-[2-(diethylamino)ethoxy]-6-(trifluoromethyl)pyridine-3-carboxamide?
2-[2-(diethylamino)ethoxy]-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 305.30 g/mol, XLogP of 1.92, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(diethylamino)ethoxy]-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 79876173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).