6-[4-(4-fluorophenoxy)phenyl]-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-2-carboxamide

C26H23FN6O2 — CID 56943117

IUPAC6-[4-(4-fluorophenoxy)phenyl]-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-2-carboxamide
SMILESNC(=O)c1cc(N2CCN(c3ncccn3)CC2)cc(-c2ccc(Oc3ccc(F)cc3)cc2)n1
InChIInChI=1S/C26H23FN6O2/c27-19-4-8-22(9-5-19)35-21-6-2-18(3-7-21)23-16-20(17-24(31-23)25(28)34)32-12-14-33(15-13-32)26-29-10-1-11-30-26/h1-11,16-17H,12-15H2,(H2,28,34)
InChIKeyKGYFJEIXFAXWHJ-UHFFFAOYSA-N
MW470.51 g/mol
LogP3.90
Rot. Bonds6

About 6-[4-(4-fluorophenoxy)phenyl]-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-2-carboxamide

6-[4-(4-fluorophenoxy)phenyl]-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-2-carboxamide (PubChem CID 56943117) has the molecular formula C26H23FN6O2 and a molecular weight of 470.51 g/mol. Its IUPAC name is 6-[4-(4-fluorophenoxy)phenyl]-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-[4-(4-fluorophenoxy)phenyl]-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-2-carboxamide
PubChem CID56943117
Molecular FormulaC26H23FN6O2
Molecular Weight470.51 g/mol
Exact Mass470.19
IUPAC Name6-[4-(4-fluorophenoxy)phenyl]-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-2-carboxamide
SMILESNC(=O)c1cc(N2CCN(c3ncccn3)CC2)cc(-c2ccc(Oc3ccc(F)cc3)cc2)n1
InChIInChI=1S/C26H23FN6O2/c27-19-4-8-22(9-5-19)35-21-6-2-18(3-7-21)23-16-20(17-24(31-23)25(28)34)32-12-14-33(15-13-32)26-29-10-1-11-30-26/h1-11,16-17H,12-15H2,(H2,28,34)
InChIKeyKGYFJEIXFAXWHJ-UHFFFAOYSA-N
XLogP3.90
TPSA97.47 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.51
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(4-fluorophenoxy)phenyl]-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-2-carboxamide?
The IUPAC name of 6-[4-(4-fluorophenoxy)phenyl]-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-2-carboxamide (CID 56943117) is 6-[4-(4-fluorophenoxy)phenyl]-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-2-carboxamide.
What is the SMILES notation for 6-[4-(4-fluorophenoxy)phenyl]-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-2-carboxamide?
The canonical SMILES for 6-[4-(4-fluorophenoxy)phenyl]-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-2-carboxamide is NC(=O)c1cc(N2CCN(c3ncccn3)CC2)cc(-c2ccc(Oc3ccc(F)cc3)cc2)n1.
What is the InChIKey of 6-[4-(4-fluorophenoxy)phenyl]-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-2-carboxamide?
The InChIKey is KGYFJEIXFAXWHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23FN6O2/c27-19-4-8-22(9-5-19)35-21-6-2-18(3-7-21)23-16-20(17-24(31-23)25(28)34)32-12-14-33(15-13-32)26-29-10-1-11-30-26/h1-11,16-17H,12-15H2,(H2,28,34).
What are the key properties of 6-[4-(4-fluorophenoxy)phenyl]-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-2-carboxamide?
6-[4-(4-fluorophenoxy)phenyl]-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-2-carboxamide has a molecular weight of 470.51 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(4-fluorophenoxy)phenyl]-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-2-carboxamide is sourced from PubChem (CID 56943117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).