5-[4-(4-fluorophenoxy)phenyl]-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide

C25H26FN3O2 — CID 10223831

IUPAC5-[4-(4-fluorophenoxy)phenyl]-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide
SMILESO=C(NCCN1CCCCC1)c1cncc(-c2ccc(Oc3ccc(F)cc3)cc2)c1
InChIInChI=1S/C25H26FN3O2/c26-22-6-10-24(11-7-22)31-23-8-4-19(5-9-23)20-16-21(18-27-17-20)25(30)28-12-15-29-13-2-1-3-14-29/h4-11,16-18H,1-3,12-15H2,(H,28,30)
InChIKeyNDMXIRHNMLYEII-UHFFFAOYSA-N
MW419.50 g/mol
LogP4.90
Rot. Bonds7

About 5-[4-(4-fluorophenoxy)phenyl]-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide

5-[4-(4-fluorophenoxy)phenyl]-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide (PubChem CID 10223831) has the molecular formula C25H26FN3O2 and a molecular weight of 419.50 g/mol. Its IUPAC name is 5-[4-(4-fluorophenoxy)phenyl]-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[4-(4-fluorophenoxy)phenyl]-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide
PubChem CID10223831
Molecular FormulaC25H26FN3O2
Molecular Weight419.50 g/mol
Exact Mass419.20
IUPAC Name5-[4-(4-fluorophenoxy)phenyl]-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide
SMILESO=C(NCCN1CCCCC1)c1cncc(-c2ccc(Oc3ccc(F)cc3)cc2)c1
InChIInChI=1S/C25H26FN3O2/c26-22-6-10-24(11-7-22)31-23-8-4-19(5-9-23)20-16-21(18-27-17-20)25(30)28-12-15-29-13-2-1-3-14-29/h4-11,16-18H,1-3,12-15H2,(H,28,30)
InChIKeyNDMXIRHNMLYEII-UHFFFAOYSA-N
XLogP4.90
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.50
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[4-(4-fluorophenoxy)phenyl]-N-(2-piperidin-1-ylethyl)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 5-[4-(4-fluorophenoxy)phenyl]-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide?
The IUPAC name of 5-[4-(4-fluorophenoxy)phenyl]-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide (CID 10223831) is 5-[4-(4-fluorophenoxy)phenyl]-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-[4-(4-fluorophenoxy)phenyl]-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide?
The canonical SMILES for 5-[4-(4-fluorophenoxy)phenyl]-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide is O=C(NCCN1CCCCC1)c1cncc(-c2ccc(Oc3ccc(F)cc3)cc2)c1.
What is the InChIKey of 5-[4-(4-fluorophenoxy)phenyl]-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide?
The InChIKey is NDMXIRHNMLYEII-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN3O2/c26-22-6-10-24(11-7-22)31-23-8-4-19(5-9-23)20-16-21(18-27-17-20)25(30)28-12-15-29-13-2-1-3-14-29/h4-11,16-18H,1-3,12-15H2,(H,28,30).
What are the key properties of 5-[4-(4-fluorophenoxy)phenyl]-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide?
5-[4-(4-fluorophenoxy)phenyl]-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide has a molecular weight of 419.50 g/mol, XLogP of 4.90, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-fluorophenoxy)phenyl]-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide is sourced from PubChem (CID 10223831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).