2-(1-methylpiperidin-4-yl)oxy-6-(trifluoromethyl)pyridine-3-carboxamide

C13H16F3N3O2 — CID 79876179

IUPAC2-(1-methylpiperidin-4-yl)oxy-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCN1CCC(Oc2nc(C(F)(F)F)ccc2C(N)=O)CC1
InChIInChI=1S/C13H16F3N3O2/c1-19-6-4-8(5-7-19)21-12-9(11(17)20)2-3-10(18-12)13(14,15)16/h2-3,8H,4-7H2,1H3,(H2,17,20)
InChIKeyVEZVINCHPHXFSV-UHFFFAOYSA-N
MW303.28 g/mol
LogP1.67
Rot. Bonds3

About 2-(1-methylpiperidin-4-yl)oxy-6-(trifluoromethyl)pyridine-3-carboxamide

2-(1-methylpiperidin-4-yl)oxy-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 79876179) has the molecular formula C13H16F3N3O2 and a molecular weight of 303.28 g/mol. Its IUPAC name is 2-(1-methylpiperidin-4-yl)oxy-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(1-methylpiperidin-4-yl)oxy-6-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID79876179
Molecular FormulaC13H16F3N3O2
Molecular Weight303.28 g/mol
Exact Mass303.12
IUPAC Name2-(1-methylpiperidin-4-yl)oxy-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCN1CCC(Oc2nc(C(F)(F)F)ccc2C(N)=O)CC1
InChIInChI=1S/C13H16F3N3O2/c1-19-6-4-8(5-7-19)21-12-9(11(17)20)2-3-10(18-12)13(14,15)16/h2-3,8H,4-7H2,1H3,(H2,17,20)
InChIKeyVEZVINCHPHXFSV-UHFFFAOYSA-N
XLogP1.67
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.28
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpiperidin-4-yl)oxy-6-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of 2-(1-methylpiperidin-4-yl)oxy-6-(trifluoromethyl)pyridine-3-carboxamide (CID 79876179) is 2-(1-methylpiperidin-4-yl)oxy-6-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-(1-methylpiperidin-4-yl)oxy-6-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for 2-(1-methylpiperidin-4-yl)oxy-6-(trifluoromethyl)pyridine-3-carboxamide is CN1CCC(Oc2nc(C(F)(F)F)ccc2C(N)=O)CC1.
What is the InChIKey of 2-(1-methylpiperidin-4-yl)oxy-6-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is VEZVINCHPHXFSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N3O2/c1-19-6-4-8(5-7-19)21-12-9(11(17)20)2-3-10(18-12)13(14,15)16/h2-3,8H,4-7H2,1H3,(H2,17,20).
What are the key properties of 2-(1-methylpiperidin-4-yl)oxy-6-(trifluoromethyl)pyridine-3-carboxamide?
2-(1-methylpiperidin-4-yl)oxy-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 303.28 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpiperidin-4-yl)oxy-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 79876179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).