6-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)pyridine-3-carboxamide

C28H25F3N4O2S — CID 46202974

IUPAC6-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)pyridine-3-carboxamide
SMILESCc1sc(NC(=O)c2ccc(N3CCC(O)(c4cccc(C(F)(F)F)c4)CC3)nc2)nc1-c1ccccc1
InChIInChI=1S/C28H25F3N4O2S/c1-18-24(19-6-3-2-4-7-19)33-26(38-18)34-25(36)20-10-11-23(32-17-20)35-14-12-27(37,13-15-35)21-8-5-9-22(16-21)28(29,30)31/h2-11,16-17,37H,12-15H2,1H3,(H,33,34,36)
InChIKeyGFAFZSNWNUAENO-UHFFFAOYSA-N
MW538.60 g/mol
LogP6.27
Rot. Bonds5

About 6-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)pyridine-3-carboxamide

6-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)pyridine-3-carboxamide (PubChem CID 46202974) has the molecular formula C28H25F3N4O2S and a molecular weight of 538.60 g/mol. Its IUPAC name is 6-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)pyridine-3-carboxamide
PubChem CID46202974
Molecular FormulaC28H25F3N4O2S
Molecular Weight538.60 g/mol
Exact Mass538.17
IUPAC Name6-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)pyridine-3-carboxamide
SMILESCc1sc(NC(=O)c2ccc(N3CCC(O)(c4cccc(C(F)(F)F)c4)CC3)nc2)nc1-c1ccccc1
InChIInChI=1S/C28H25F3N4O2S/c1-18-24(19-6-3-2-4-7-19)33-26(38-18)34-25(36)20-10-11-23(32-17-20)35-14-12-27(37,13-15-35)21-8-5-9-22(16-21)28(29,30)31/h2-11,16-17,37H,12-15H2,1H3,(H,33,34,36)
InChIKeyGFAFZSNWNUAENO-UHFFFAOYSA-N
XLogP6.27
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.60
LogP ≤ 56.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)pyridine-3-carboxamide?
The IUPAC name of 6-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)pyridine-3-carboxamide (CID 46202974) is 6-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)pyridine-3-carboxamide.
What is the SMILES notation for 6-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)pyridine-3-carboxamide?
The canonical SMILES for 6-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)pyridine-3-carboxamide is Cc1sc(NC(=O)c2ccc(N3CCC(O)(c4cccc(C(F)(F)F)c4)CC3)nc2)nc1-c1ccccc1.
What is the InChIKey of 6-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)pyridine-3-carboxamide?
The InChIKey is GFAFZSNWNUAENO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25F3N4O2S/c1-18-24(19-6-3-2-4-7-19)33-26(38-18)34-25(36)20-10-11-23(32-17-20)35-14-12-27(37,13-15-35)21-8-5-9-22(16-21)28(29,30)31/h2-11,16-17,37H,12-15H2,1H3,(H,33,34,36).
What are the key properties of 6-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)pyridine-3-carboxamide?
6-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)pyridine-3-carboxamide has a molecular weight of 538.60 g/mol, XLogP of 6.27, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)pyridine-3-carboxamide is sourced from PubChem (CID 46202974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).