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

C25H26FN3O2 — CID 11247128

IUPAC6-[4-(4-fluorophenoxy)phenyl]-N-(2-piperidin-1-ylethyl)pyridine-2-carboxamide
SMILESO=C(NCCN1CCCCC1)c1cccc(-c2ccc(Oc3ccc(F)cc3)cc2)n1
InChIInChI=1S/C25H26FN3O2/c26-20-9-13-22(14-10-20)31-21-11-7-19(8-12-21)23-5-4-6-24(28-23)25(30)27-15-18-29-16-2-1-3-17-29/h4-14H,1-3,15-18H2,(H,27,30)
InChIKeyAOMWTDFUWKTRKL-UHFFFAOYSA-N
MW419.50 g/mol
LogP4.90
Rot. Bonds7

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

6-[4-(4-fluorophenoxy)phenyl]-N-(2-piperidin-1-ylethyl)pyridine-2-carboxamide (PubChem CID 11247128) 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-2-carboxamide.

Molecular Properties

Compound Name6-[4-(4-fluorophenoxy)phenyl]-N-(2-piperidin-1-ylethyl)pyridine-2-carboxamide
PubChem CID11247128
Molecular FormulaC25H26FN3O2
Molecular Weight419.50 g/mol
Exact Mass419.20
IUPAC Name6-[4-(4-fluorophenoxy)phenyl]-N-(2-piperidin-1-ylethyl)pyridine-2-carboxamide
SMILESO=C(NCCN1CCCCC1)c1cccc(-c2ccc(Oc3ccc(F)cc3)cc2)n1
InChIInChI=1S/C25H26FN3O2/c26-20-9-13-22(14-10-20)31-21-11-7-19(8-12-21)23-5-4-6-24(28-23)25(30)27-15-18-29-16-2-1-3-17-29/h4-14H,1-3,15-18H2,(H,27,30)
InChIKeyAOMWTDFUWKTRKL-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-2-carboxamide?
The IUPAC name of 6-[4-(4-fluorophenoxy)phenyl]-N-(2-piperidin-1-ylethyl)pyridine-2-carboxamide (CID 11247128) is 6-[4-(4-fluorophenoxy)phenyl]-N-(2-piperidin-1-ylethyl)pyridine-2-carboxamide.
What is the SMILES notation for 6-[4-(4-fluorophenoxy)phenyl]-N-(2-piperidin-1-ylethyl)pyridine-2-carboxamide?
The canonical SMILES for 6-[4-(4-fluorophenoxy)phenyl]-N-(2-piperidin-1-ylethyl)pyridine-2-carboxamide is O=C(NCCN1CCCCC1)c1cccc(-c2ccc(Oc3ccc(F)cc3)cc2)n1.
What is the InChIKey of 6-[4-(4-fluorophenoxy)phenyl]-N-(2-piperidin-1-ylethyl)pyridine-2-carboxamide?
The InChIKey is AOMWTDFUWKTRKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN3O2/c26-20-9-13-22(14-10-20)31-21-11-7-19(8-12-21)23-5-4-6-24(28-23)25(30)27-15-18-29-16-2-1-3-17-29/h4-14H,1-3,15-18H2,(H,27,30).
What are the key properties of 6-[4-(4-fluorophenoxy)phenyl]-N-(2-piperidin-1-ylethyl)pyridine-2-carboxamide?
6-[4-(4-fluorophenoxy)phenyl]-N-(2-piperidin-1-ylethyl)pyridine-2-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-2-carboxamide is sourced from PubChem (CID 11247128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).