N-(4-piperidin-3-ylphenyl)-5-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide

C19H20F3N3O2 — CID 67241653

IUPACN-(4-piperidin-3-ylphenyl)-5-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide
SMILESO=C(Nc1ccc(C2CCCNC2)cc1)c1ccc(OCC(F)(F)F)cn1
InChIInChI=1S/C19H20F3N3O2/c20-19(21,22)12-27-16-7-8-17(24-11-16)18(26)25-15-5-3-13(4-6-15)14-2-1-9-23-10-14/h3-8,11,14,23H,1-2,9-10,12H2,(H,25,26)
InChIKeyRFPJWUNHQMJZOW-UHFFFAOYSA-N
MW379.38 g/mol
LogP3.74
Rot. Bonds5

About N-(4-piperidin-3-ylphenyl)-5-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide

N-(4-piperidin-3-ylphenyl)-5-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide (PubChem CID 67241653) has the molecular formula C19H20F3N3O2 and a molecular weight of 379.38 g/mol. Its IUPAC name is N-(4-piperidin-3-ylphenyl)-5-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(4-piperidin-3-ylphenyl)-5-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide
PubChem CID67241653
Molecular FormulaC19H20F3N3O2
Molecular Weight379.38 g/mol
Exact Mass379.15
IUPAC NameN-(4-piperidin-3-ylphenyl)-5-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide
SMILESO=C(Nc1ccc(C2CCCNC2)cc1)c1ccc(OCC(F)(F)F)cn1
InChIInChI=1S/C19H20F3N3O2/c20-19(21,22)12-27-16-7-8-17(24-11-16)18(26)25-15-5-3-13(4-6-15)14-2-1-9-23-10-14/h3-8,11,14,23H,1-2,9-10,12H2,(H,25,26)
InChIKeyRFPJWUNHQMJZOW-UHFFFAOYSA-N
XLogP3.74
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.38
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-piperidin-3-ylphenyl)-5-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide?
The IUPAC name of N-(4-piperidin-3-ylphenyl)-5-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide (CID 67241653) is N-(4-piperidin-3-ylphenyl)-5-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide.
What is the SMILES notation for N-(4-piperidin-3-ylphenyl)-5-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide?
The canonical SMILES for N-(4-piperidin-3-ylphenyl)-5-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide is O=C(Nc1ccc(C2CCCNC2)cc1)c1ccc(OCC(F)(F)F)cn1.
What is the InChIKey of N-(4-piperidin-3-ylphenyl)-5-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide?
The InChIKey is RFPJWUNHQMJZOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N3O2/c20-19(21,22)12-27-16-7-8-17(24-11-16)18(26)25-15-5-3-13(4-6-15)14-2-1-9-23-10-14/h3-8,11,14,23H,1-2,9-10,12H2,(H,25,26).
What are the key properties of N-(4-piperidin-3-ylphenyl)-5-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide?
N-(4-piperidin-3-ylphenyl)-5-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide has a molecular weight of 379.38 g/mol, XLogP of 3.74, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-piperidin-3-ylphenyl)-5-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide is sourced from PubChem (CID 67241653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).