N-ethyl-6-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]pyridine-3-carboxamide

C20H22F3N3O2 — CID 134713376

IUPACN-ethyl-6-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]pyridine-3-carboxamide
SMILESCCNC(=O)c1ccc(N2CCC(O)(c3cccc(C(F)(F)F)c3)CC2)nc1
InChIInChI=1S/C20H22F3N3O2/c1-2-24-18(27)14-6-7-17(25-13-14)26-10-8-19(28,9-11-26)15-4-3-5-16(12-15)20(21,22)23/h3-7,12-13,28H,2,8-11H2,1H3,(H,24,27)
InChIKeyUGXJUCNWVVSVIE-UHFFFAOYSA-N
MW393.41 g/mol
LogP3.34
Rot. Bonds4

About N-ethyl-6-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]pyridine-3-carboxamide

N-ethyl-6-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]pyridine-3-carboxamide (PubChem CID 134713376) has the molecular formula C20H22F3N3O2 and a molecular weight of 393.41 g/mol. Its IUPAC name is N-ethyl-6-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-6-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]pyridine-3-carboxamide
PubChem CID134713376
Molecular FormulaC20H22F3N3O2
Molecular Weight393.41 g/mol
Exact Mass393.17
IUPAC NameN-ethyl-6-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]pyridine-3-carboxamide
SMILESCCNC(=O)c1ccc(N2CCC(O)(c3cccc(C(F)(F)F)c3)CC2)nc1
InChIInChI=1S/C20H22F3N3O2/c1-2-24-18(27)14-6-7-17(25-13-14)26-10-8-19(28,9-11-26)15-4-3-5-16(12-15)20(21,22)23/h3-7,12-13,28H,2,8-11H2,1H3,(H,24,27)
InChIKeyUGXJUCNWVVSVIE-UHFFFAOYSA-N
XLogP3.34
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.41
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-ethyl-6-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]pyridine-3-carboxamide?
The IUPAC name of N-ethyl-6-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]pyridine-3-carboxamide (CID 134713376) is N-ethyl-6-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-ethyl-6-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]pyridine-3-carboxamide?
The canonical SMILES for N-ethyl-6-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]pyridine-3-carboxamide is CCNC(=O)c1ccc(N2CCC(O)(c3cccc(C(F)(F)F)c3)CC2)nc1.
What is the InChIKey of N-ethyl-6-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]pyridine-3-carboxamide?
The InChIKey is UGXJUCNWVVSVIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F3N3O2/c1-2-24-18(27)14-6-7-17(25-13-14)26-10-8-19(28,9-11-26)15-4-3-5-16(12-15)20(21,22)23/h3-7,12-13,28H,2,8-11H2,1H3,(H,24,27).
What are the key properties of N-ethyl-6-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]pyridine-3-carboxamide?
N-ethyl-6-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]pyridine-3-carboxamide has a molecular weight of 393.41 g/mol, XLogP of 3.34, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 134713376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).