5-hydroxy-N-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]pyridine-3-carboxamide

C25H22F3N3O3 — CID 89464191

IUPAC5-hydroxy-N-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]pyridine-3-carboxamide
SMILESO=C(NC1CCC(=Cc2cccc(Oc3ccc(C(F)(F)F)cn3)c2)CC1)c1cncc(O)c1
InChIInChI=1S/C25H22F3N3O3/c26-25(27,28)19-6-9-23(30-14-19)34-22-3-1-2-17(11-22)10-16-4-7-20(8-5-16)31-24(33)18-12-21(32)15-29-13-18/h1-3,6,9-15,20,32H,4-5,7-8H2,(H,31,33)/b16-10-
InChIKeyQUHQWXQOHOCBTK-YBEGLDIGSA-N
MW469.46 g/mol
LogP5.75
Rot. Bonds5

About 5-hydroxy-N-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]pyridine-3-carboxamide

5-hydroxy-N-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]pyridine-3-carboxamide (PubChem CID 89464191) has the molecular formula C25H22F3N3O3 and a molecular weight of 469.46 g/mol. Its IUPAC name is 5-hydroxy-N-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-hydroxy-N-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]pyridine-3-carboxamide
PubChem CID89464191
Molecular FormulaC25H22F3N3O3
Molecular Weight469.46 g/mol
Exact Mass469.16
IUPAC Name5-hydroxy-N-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]pyridine-3-carboxamide
SMILESO=C(NC1CCC(=Cc2cccc(Oc3ccc(C(F)(F)F)cn3)c2)CC1)c1cncc(O)c1
InChIInChI=1S/C25H22F3N3O3/c26-25(27,28)19-6-9-23(30-14-19)34-22-3-1-2-17(11-22)10-16-4-7-20(8-5-16)31-24(33)18-12-21(32)15-29-13-18/h1-3,6,9-15,20,32H,4-5,7-8H2,(H,31,33)/b16-10-
InChIKeyQUHQWXQOHOCBTK-YBEGLDIGSA-N
XLogP5.75
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.46
LogP ≤ 55.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-N-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]pyridine-3-carboxamide?
The IUPAC name of 5-hydroxy-N-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]pyridine-3-carboxamide (CID 89464191) is 5-hydroxy-N-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-hydroxy-N-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]pyridine-3-carboxamide?
The canonical SMILES for 5-hydroxy-N-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]pyridine-3-carboxamide is O=C(NC1CCC(=Cc2cccc(Oc3ccc(C(F)(F)F)cn3)c2)CC1)c1cncc(O)c1.
What is the InChIKey of 5-hydroxy-N-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]pyridine-3-carboxamide?
The InChIKey is QUHQWXQOHOCBTK-YBEGLDIGSA-N. The full InChI is InChI=1S/C25H22F3N3O3/c26-25(27,28)19-6-9-23(30-14-19)34-22-3-1-2-17(11-22)10-16-4-7-20(8-5-16)31-24(33)18-12-21(32)15-29-13-18/h1-3,6,9-15,20,32H,4-5,7-8H2,(H,31,33)/b16-10-.
What are the key properties of 5-hydroxy-N-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]pyridine-3-carboxamide?
5-hydroxy-N-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]pyridine-3-carboxamide has a molecular weight of 469.46 g/mol, XLogP of 5.75, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-N-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]pyridine-3-carboxamide is sourced from PubChem (CID 89464191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).