6-[4-(4-fluorophenoxy)phenyl]-4-(piperazin-1-ylmethyl)pyridine-2-carboxamide

C23H23FN4O2 — CID 56943488

IUPAC6-[4-(4-fluorophenoxy)phenyl]-4-(piperazin-1-ylmethyl)pyridine-2-carboxamide
SMILESNC(=O)c1cc(CN2CCNCC2)cc(-c2ccc(Oc3ccc(F)cc3)cc2)n1
InChIInChI=1S/C23H23FN4O2/c24-18-3-7-20(8-4-18)30-19-5-1-17(2-6-19)21-13-16(14-22(27-21)23(25)29)15-28-11-9-26-10-12-28/h1-8,13-14,26H,9-12,15H2,(H2,25,29)
InChIKeyVAMCQAHVTMVXQZ-UHFFFAOYSA-N
MW406.46 g/mol
LogP3.18
Rot. Bonds6

About 6-[4-(4-fluorophenoxy)phenyl]-4-(piperazin-1-ylmethyl)pyridine-2-carboxamide

6-[4-(4-fluorophenoxy)phenyl]-4-(piperazin-1-ylmethyl)pyridine-2-carboxamide (PubChem CID 56943488) has the molecular formula C23H23FN4O2 and a molecular weight of 406.46 g/mol. Its IUPAC name is 6-[4-(4-fluorophenoxy)phenyl]-4-(piperazin-1-ylmethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-[4-(4-fluorophenoxy)phenyl]-4-(piperazin-1-ylmethyl)pyridine-2-carboxamide
PubChem CID56943488
Molecular FormulaC23H23FN4O2
Molecular Weight406.46 g/mol
Exact Mass406.18
IUPAC Name6-[4-(4-fluorophenoxy)phenyl]-4-(piperazin-1-ylmethyl)pyridine-2-carboxamide
SMILESNC(=O)c1cc(CN2CCNCC2)cc(-c2ccc(Oc3ccc(F)cc3)cc2)n1
InChIInChI=1S/C23H23FN4O2/c24-18-3-7-20(8-4-18)30-19-5-1-17(2-6-19)21-13-16(14-22(27-21)23(25)29)15-28-11-9-26-10-12-28/h1-8,13-14,26H,9-12,15H2,(H2,25,29)
InChIKeyVAMCQAHVTMVXQZ-UHFFFAOYSA-N
XLogP3.18
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.46
LogP ≤ 53.18
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-(piperazin-1-ylmethyl)pyridine-2-carboxamide?
The IUPAC name of 6-[4-(4-fluorophenoxy)phenyl]-4-(piperazin-1-ylmethyl)pyridine-2-carboxamide (CID 56943488) is 6-[4-(4-fluorophenoxy)phenyl]-4-(piperazin-1-ylmethyl)pyridine-2-carboxamide.
What is the SMILES notation for 6-[4-(4-fluorophenoxy)phenyl]-4-(piperazin-1-ylmethyl)pyridine-2-carboxamide?
The canonical SMILES for 6-[4-(4-fluorophenoxy)phenyl]-4-(piperazin-1-ylmethyl)pyridine-2-carboxamide is NC(=O)c1cc(CN2CCNCC2)cc(-c2ccc(Oc3ccc(F)cc3)cc2)n1.
What is the InChIKey of 6-[4-(4-fluorophenoxy)phenyl]-4-(piperazin-1-ylmethyl)pyridine-2-carboxamide?
The InChIKey is VAMCQAHVTMVXQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN4O2/c24-18-3-7-20(8-4-18)30-19-5-1-17(2-6-19)21-13-16(14-22(27-21)23(25)29)15-28-11-9-26-10-12-28/h1-8,13-14,26H,9-12,15H2,(H2,25,29).
What are the key properties of 6-[4-(4-fluorophenoxy)phenyl]-4-(piperazin-1-ylmethyl)pyridine-2-carboxamide?
6-[4-(4-fluorophenoxy)phenyl]-4-(piperazin-1-ylmethyl)pyridine-2-carboxamide has a molecular weight of 406.46 g/mol, XLogP of 3.18, 6 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-(piperazin-1-ylmethyl)pyridine-2-carboxamide is sourced from PubChem (CID 56943488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).