N-piperidin-4-yl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide

C13H16F3N3O2 — CID 119388337

IUPACN-piperidin-4-yl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
SMILESO=C(NC1CCNCC1)c1ccc(OCC(F)(F)F)nc1
InChIInChI=1S/C13H16F3N3O2/c14-13(15,16)8-21-11-2-1-9(7-18-11)12(20)19-10-3-5-17-6-4-10/h1-2,7,10,17H,3-6,8H2,(H,19,20)
InChIKeyYPASGEUAQPIGBD-UHFFFAOYSA-N
MW303.28 g/mol
LogP1.50
Rot. Bonds4

About N-piperidin-4-yl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide

N-piperidin-4-yl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide (PubChem CID 119388337) has the molecular formula C13H16F3N3O2 and a molecular weight of 303.28 g/mol. Its IUPAC name is N-piperidin-4-yl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-piperidin-4-yl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
PubChem CID119388337
Molecular FormulaC13H16F3N3O2
Molecular Weight303.28 g/mol
Exact Mass303.12
IUPAC NameN-piperidin-4-yl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
SMILESO=C(NC1CCNCC1)c1ccc(OCC(F)(F)F)nc1
InChIInChI=1S/C13H16F3N3O2/c14-13(15,16)8-21-11-2-1-9(7-18-11)12(20)19-10-3-5-17-6-4-10/h1-2,7,10,17H,3-6,8H2,(H,19,20)
InChIKeyYPASGEUAQPIGBD-UHFFFAOYSA-N
XLogP1.50
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.28
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-piperidin-4-yl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The IUPAC name of N-piperidin-4-yl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide (CID 119388337) is N-piperidin-4-yl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide.
What is the SMILES notation for N-piperidin-4-yl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The canonical SMILES for N-piperidin-4-yl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide is O=C(NC1CCNCC1)c1ccc(OCC(F)(F)F)nc1.
What is the InChIKey of N-piperidin-4-yl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The InChIKey is YPASGEUAQPIGBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N3O2/c14-13(15,16)8-21-11-2-1-9(7-18-11)12(20)19-10-3-5-17-6-4-10/h1-2,7,10,17H,3-6,8H2,(H,19,20).
What are the key properties of N-piperidin-4-yl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
N-piperidin-4-yl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide has a molecular weight of 303.28 g/mol, XLogP of 1.50, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-piperidin-4-yl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide is sourced from PubChem (CID 119388337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).