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

C26H28FN3O3 — CID 56943143

IUPAC6-[4-(4-fluorophenoxy)phenyl]-4-(hydroxymethyl)-N-(2-piperidin-1-ylethyl)pyridine-2-carboxamide
SMILESO=C(NCCN1CCCCC1)c1cc(CO)cc(-c2ccc(Oc3ccc(F)cc3)cc2)n1
InChIInChI=1S/C26H28FN3O3/c27-21-6-10-23(11-7-21)33-22-8-4-20(5-9-22)24-16-19(18-31)17-25(29-24)26(32)28-12-15-30-13-2-1-3-14-30/h4-11,16-17,31H,1-3,12-15,18H2,(H,28,32)
InChIKeyXQFKWCMQTHSEFG-UHFFFAOYSA-N
MW449.53 g/mol
LogP4.39
Rot. Bonds8

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

6-[4-(4-fluorophenoxy)phenyl]-4-(hydroxymethyl)-N-(2-piperidin-1-ylethyl)pyridine-2-carboxamide (PubChem CID 56943143) has the molecular formula C26H28FN3O3 and a molecular weight of 449.53 g/mol. Its IUPAC name is 6-[4-(4-fluorophenoxy)phenyl]-4-(hydroxymethyl)-N-(2-piperidin-1-ylethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-[4-(4-fluorophenoxy)phenyl]-4-(hydroxymethyl)-N-(2-piperidin-1-ylethyl)pyridine-2-carboxamide
PubChem CID56943143
Molecular FormulaC26H28FN3O3
Molecular Weight449.53 g/mol
Exact Mass449.21
IUPAC Name6-[4-(4-fluorophenoxy)phenyl]-4-(hydroxymethyl)-N-(2-piperidin-1-ylethyl)pyridine-2-carboxamide
SMILESO=C(NCCN1CCCCC1)c1cc(CO)cc(-c2ccc(Oc3ccc(F)cc3)cc2)n1
InChIInChI=1S/C26H28FN3O3/c27-21-6-10-23(11-7-21)33-22-8-4-20(5-9-22)24-16-19(18-31)17-25(29-24)26(32)28-12-15-30-13-2-1-3-14-30/h4-11,16-17,31H,1-3,12-15,18H2,(H,28,32)
InChIKeyXQFKWCMQTHSEFG-UHFFFAOYSA-N
XLogP4.39
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.53
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(4-fluorophenoxy)phenyl]-4-(hydroxymethyl)-N-(2-piperidin-1-ylethyl)pyridine-2-carboxamide?
The IUPAC name of 6-[4-(4-fluorophenoxy)phenyl]-4-(hydroxymethyl)-N-(2-piperidin-1-ylethyl)pyridine-2-carboxamide (CID 56943143) is 6-[4-(4-fluorophenoxy)phenyl]-4-(hydroxymethyl)-N-(2-piperidin-1-ylethyl)pyridine-2-carboxamide.
What is the SMILES notation for 6-[4-(4-fluorophenoxy)phenyl]-4-(hydroxymethyl)-N-(2-piperidin-1-ylethyl)pyridine-2-carboxamide?
The canonical SMILES for 6-[4-(4-fluorophenoxy)phenyl]-4-(hydroxymethyl)-N-(2-piperidin-1-ylethyl)pyridine-2-carboxamide is O=C(NCCN1CCCCC1)c1cc(CO)cc(-c2ccc(Oc3ccc(F)cc3)cc2)n1.
What is the InChIKey of 6-[4-(4-fluorophenoxy)phenyl]-4-(hydroxymethyl)-N-(2-piperidin-1-ylethyl)pyridine-2-carboxamide?
The InChIKey is XQFKWCMQTHSEFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28FN3O3/c27-21-6-10-23(11-7-21)33-22-8-4-20(5-9-22)24-16-19(18-31)17-25(29-24)26(32)28-12-15-30-13-2-1-3-14-30/h4-11,16-17,31H,1-3,12-15,18H2,(H,28,32).
What are the key properties of 6-[4-(4-fluorophenoxy)phenyl]-4-(hydroxymethyl)-N-(2-piperidin-1-ylethyl)pyridine-2-carboxamide?
6-[4-(4-fluorophenoxy)phenyl]-4-(hydroxymethyl)-N-(2-piperidin-1-ylethyl)pyridine-2-carboxamide has a molecular weight of 449.53 g/mol, XLogP of 4.39, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(4-fluorophenoxy)phenyl]-4-(hydroxymethyl)-N-(2-piperidin-1-ylethyl)pyridine-2-carboxamide is sourced from PubChem (CID 56943143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).