6-[4-(4-fluorophenoxy)phenyl]-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide

C25H26FN3O2 — CID 10273574

IUPAC6-[4-(4-fluorophenoxy)phenyl]-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide
SMILESO=C(NCCN1CCCCC1)c1ccc(-c2ccc(Oc3ccc(F)cc3)cc2)nc1
InChIInChI=1S/C25H26FN3O2/c26-21-7-11-23(12-8-21)31-22-9-4-19(5-10-22)24-13-6-20(18-28-24)25(30)27-14-17-29-15-2-1-3-16-29/h4-13,18H,1-3,14-17H2,(H,27,30)
InChIKeyLFROFPRSCLPNHG-UHFFFAOYSA-N
MW419.50 g/mol
LogP4.90
Rot. Bonds7

About 6-[4-(4-fluorophenoxy)phenyl]-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide

6-[4-(4-fluorophenoxy)phenyl]-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide (PubChem CID 10273574) has the molecular formula C25H26FN3O2 and a molecular weight of 419.50 g/mol. Its IUPAC name is 6-[4-(4-fluorophenoxy)phenyl]-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[4-(4-fluorophenoxy)phenyl]-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide
PubChem CID10273574
Molecular FormulaC25H26FN3O2
Molecular Weight419.50 g/mol
Exact Mass419.20
IUPAC Name6-[4-(4-fluorophenoxy)phenyl]-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide
SMILESO=C(NCCN1CCCCC1)c1ccc(-c2ccc(Oc3ccc(F)cc3)cc2)nc1
InChIInChI=1S/C25H26FN3O2/c26-21-7-11-23(12-8-21)31-22-9-4-19(5-10-22)24-13-6-20(18-28-24)25(30)27-14-17-29-15-2-1-3-16-29/h4-13,18H,1-3,14-17H2,(H,27,30)
InChIKeyLFROFPRSCLPNHG-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

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(4-fluorophenoxy)phenyl]-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide?
The IUPAC name of 6-[4-(4-fluorophenoxy)phenyl]-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide (CID 10273574) is 6-[4-(4-fluorophenoxy)phenyl]-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-[4-(4-fluorophenoxy)phenyl]-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide?
The canonical SMILES for 6-[4-(4-fluorophenoxy)phenyl]-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide is O=C(NCCN1CCCCC1)c1ccc(-c2ccc(Oc3ccc(F)cc3)cc2)nc1.
What is the InChIKey of 6-[4-(4-fluorophenoxy)phenyl]-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide?
The InChIKey is LFROFPRSCLPNHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN3O2/c26-21-7-11-23(12-8-21)31-22-9-4-19(5-10-22)24-13-6-20(18-28-24)25(30)27-14-17-29-15-2-1-3-16-29/h4-13,18H,1-3,14-17H2,(H,27,30).
What are the key properties of 6-[4-(4-fluorophenoxy)phenyl]-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide?
6-[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 6-[4-(4-fluorophenoxy)phenyl]-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide is sourced from PubChem (CID 10273574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).