2-(4,4-difluoropiperidin-1-yl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide

C13H14F5N3O2 — CID 156784574

IUPAC2-(4,4-difluoropiperidin-1-yl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
SMILESNC(=O)c1ccc(OCC(F)(F)F)nc1N1CCC(F)(F)CC1
InChIInChI=1S/C13H14F5N3O2/c14-12(15)3-5-21(6-4-12)11-8(10(19)22)1-2-9(20-11)23-7-13(16,17)18/h1-2H,3-7H2,(H2,19,22)
InChIKeyRGVCMELSHFEXOR-UHFFFAOYSA-N
MW339.26 g/mol
LogP2.36
Rot. Bonds4

About 2-(4,4-difluoropiperidin-1-yl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide

2-(4,4-difluoropiperidin-1-yl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide (PubChem CID 156784574) has the molecular formula C13H14F5N3O2 and a molecular weight of 339.26 g/mol. Its IUPAC name is 2-(4,4-difluoropiperidin-1-yl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(4,4-difluoropiperidin-1-yl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
PubChem CID156784574
Molecular FormulaC13H14F5N3O2
Molecular Weight339.26 g/mol
Exact Mass339.10
IUPAC Name2-(4,4-difluoropiperidin-1-yl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
SMILESNC(=O)c1ccc(OCC(F)(F)F)nc1N1CCC(F)(F)CC1
InChIInChI=1S/C13H14F5N3O2/c14-12(15)3-5-21(6-4-12)11-8(10(19)22)1-2-9(20-11)23-7-13(16,17)18/h1-2H,3-7H2,(H2,19,22)
InChIKeyRGVCMELSHFEXOR-UHFFFAOYSA-N
XLogP2.36
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.26
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4,4-difluoropiperidin-1-yl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The IUPAC name of 2-(4,4-difluoropiperidin-1-yl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide (CID 156784574) is 2-(4,4-difluoropiperidin-1-yl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide.
What is the SMILES notation for 2-(4,4-difluoropiperidin-1-yl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The canonical SMILES for 2-(4,4-difluoropiperidin-1-yl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide is NC(=O)c1ccc(OCC(F)(F)F)nc1N1CCC(F)(F)CC1.
What is the InChIKey of 2-(4,4-difluoropiperidin-1-yl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The InChIKey is RGVCMELSHFEXOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F5N3O2/c14-12(15)3-5-21(6-4-12)11-8(10(19)22)1-2-9(20-11)23-7-13(16,17)18/h1-2H,3-7H2,(H2,19,22).
What are the key properties of 2-(4,4-difluoropiperidin-1-yl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
2-(4,4-difluoropiperidin-1-yl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide has a molecular weight of 339.26 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-difluoropiperidin-1-yl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide is sourced from PubChem (CID 156784574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).