6-[4-[2-(piperidin-1-ylmethyl)-4-(trifluoromethyl)phenoxy]phenyl]pyridine-2-carboxamide

C25H24F3N3O2 — CID 86272847

IUPAC6-[4-[2-(piperidin-1-ylmethyl)-4-(trifluoromethyl)phenoxy]phenyl]pyridine-2-carboxamide
SMILESNC(=O)c1cccc(-c2ccc(Oc3ccc(C(F)(F)F)cc3CN3CCCCC3)cc2)n1
InChIInChI=1S/C25H24F3N3O2/c26-25(27,28)19-9-12-23(18(15-19)16-31-13-2-1-3-14-31)33-20-10-7-17(8-11-20)21-5-4-6-22(30-21)24(29)32/h4-12,15H,1-3,13-14,16H2,(H2,29,32)
InChIKeyLYOSZRRLBCQGAK-UHFFFAOYSA-N
MW455.48 g/mol
LogP5.64
Rot. Bonds6

About 6-[4-[2-(piperidin-1-ylmethyl)-4-(trifluoromethyl)phenoxy]phenyl]pyridine-2-carboxamide

6-[4-[2-(piperidin-1-ylmethyl)-4-(trifluoromethyl)phenoxy]phenyl]pyridine-2-carboxamide (PubChem CID 86272847) has the molecular formula C25H24F3N3O2 and a molecular weight of 455.48 g/mol. Its IUPAC name is 6-[4-[2-(piperidin-1-ylmethyl)-4-(trifluoromethyl)phenoxy]phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-[4-[2-(piperidin-1-ylmethyl)-4-(trifluoromethyl)phenoxy]phenyl]pyridine-2-carboxamide
PubChem CID86272847
Molecular FormulaC25H24F3N3O2
Molecular Weight455.48 g/mol
Exact Mass455.18
IUPAC Name6-[4-[2-(piperidin-1-ylmethyl)-4-(trifluoromethyl)phenoxy]phenyl]pyridine-2-carboxamide
SMILESNC(=O)c1cccc(-c2ccc(Oc3ccc(C(F)(F)F)cc3CN3CCCCC3)cc2)n1
InChIInChI=1S/C25H24F3N3O2/c26-25(27,28)19-9-12-23(18(15-19)16-31-13-2-1-3-14-31)33-20-10-7-17(8-11-20)21-5-4-6-22(30-21)24(29)32/h4-12,15H,1-3,13-14,16H2,(H2,29,32)
InChIKeyLYOSZRRLBCQGAK-UHFFFAOYSA-N
XLogP5.64
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.48
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[4-[2-(piperidin-1-ylmethyl)-4-(trifluoromethyl)phenoxy]phenyl]pyridine-2-carboxamide?
The IUPAC name of 6-[4-[2-(piperidin-1-ylmethyl)-4-(trifluoromethyl)phenoxy]phenyl]pyridine-2-carboxamide (CID 86272847) is 6-[4-[2-(piperidin-1-ylmethyl)-4-(trifluoromethyl)phenoxy]phenyl]pyridine-2-carboxamide.
What is the SMILES notation for 6-[4-[2-(piperidin-1-ylmethyl)-4-(trifluoromethyl)phenoxy]phenyl]pyridine-2-carboxamide?
The canonical SMILES for 6-[4-[2-(piperidin-1-ylmethyl)-4-(trifluoromethyl)phenoxy]phenyl]pyridine-2-carboxamide is NC(=O)c1cccc(-c2ccc(Oc3ccc(C(F)(F)F)cc3CN3CCCCC3)cc2)n1.
What is the InChIKey of 6-[4-[2-(piperidin-1-ylmethyl)-4-(trifluoromethyl)phenoxy]phenyl]pyridine-2-carboxamide?
The InChIKey is LYOSZRRLBCQGAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F3N3O2/c26-25(27,28)19-9-12-23(18(15-19)16-31-13-2-1-3-14-31)33-20-10-7-17(8-11-20)21-5-4-6-22(30-21)24(29)32/h4-12,15H,1-3,13-14,16H2,(H2,29,32).
What are the key properties of 6-[4-[2-(piperidin-1-ylmethyl)-4-(trifluoromethyl)phenoxy]phenyl]pyridine-2-carboxamide?
6-[4-[2-(piperidin-1-ylmethyl)-4-(trifluoromethyl)phenoxy]phenyl]pyridine-2-carboxamide has a molecular weight of 455.48 g/mol, XLogP of 5.64, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[2-(piperidin-1-ylmethyl)-4-(trifluoromethyl)phenoxy]phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 86272847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).