5-fluoro-N-[1-(2-hydroxy-4-methylbenzoyl)piperidin-4-yl]-2-(3-methylsulfanylphenoxy)pyridine-3-carboxamide

C26H26FN3O4S — CID 11191156

IUPAC5-fluoro-N-[1-(2-hydroxy-4-methylbenzoyl)piperidin-4-yl]-2-(3-methylsulfanylphenoxy)pyridine-3-carboxamide
SMILESCSc1cccc(Oc2ncc(F)cc2C(=O)NC2CCN(C(=O)c3ccc(C)cc3O)CC2)c1
InChIInChI=1S/C26H26FN3O4S/c1-16-6-7-21(23(31)12-16)26(33)30-10-8-18(9-11-30)29-24(32)22-13-17(27)15-28-25(22)34-19-4-3-5-20(14-19)35-2/h3-7,12-15,18,31H,8-11H2,1-2H3,(H,29,32)
InChIKeyCYHSYCNMDZADSX-UHFFFAOYSA-N
MW495.58 g/mol
LogP4.78
Rot. Bonds6

About 5-fluoro-N-[1-(2-hydroxy-4-methylbenzoyl)piperidin-4-yl]-2-(3-methylsulfanylphenoxy)pyridine-3-carboxamide

5-fluoro-N-[1-(2-hydroxy-4-methylbenzoyl)piperidin-4-yl]-2-(3-methylsulfanylphenoxy)pyridine-3-carboxamide (PubChem CID 11191156) has the molecular formula C26H26FN3O4S and a molecular weight of 495.58 g/mol. Its IUPAC name is 5-fluoro-N-[1-(2-hydroxy-4-methylbenzoyl)piperidin-4-yl]-2-(3-methylsulfanylphenoxy)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-fluoro-N-[1-(2-hydroxy-4-methylbenzoyl)piperidin-4-yl]-2-(3-methylsulfanylphenoxy)pyridine-3-carboxamide
PubChem CID11191156
Molecular FormulaC26H26FN3O4S
Molecular Weight495.58 g/mol
Exact Mass495.16
IUPAC Name5-fluoro-N-[1-(2-hydroxy-4-methylbenzoyl)piperidin-4-yl]-2-(3-methylsulfanylphenoxy)pyridine-3-carboxamide
SMILESCSc1cccc(Oc2ncc(F)cc2C(=O)NC2CCN(C(=O)c3ccc(C)cc3O)CC2)c1
InChIInChI=1S/C26H26FN3O4S/c1-16-6-7-21(23(31)12-16)26(33)30-10-8-18(9-11-30)29-24(32)22-13-17(27)15-28-25(22)34-19-4-3-5-20(14-19)35-2/h3-7,12-15,18,31H,8-11H2,1-2H3,(H,29,32)
InChIKeyCYHSYCNMDZADSX-UHFFFAOYSA-N
XLogP4.78
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.58
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[1-(2-hydroxy-4-methylbenzoyl)piperidin-4-yl]-2-(3-methylsulfanylphenoxy)pyridine-3-carboxamide?
The IUPAC name of 5-fluoro-N-[1-(2-hydroxy-4-methylbenzoyl)piperidin-4-yl]-2-(3-methylsulfanylphenoxy)pyridine-3-carboxamide (CID 11191156) is 5-fluoro-N-[1-(2-hydroxy-4-methylbenzoyl)piperidin-4-yl]-2-(3-methylsulfanylphenoxy)pyridine-3-carboxamide.
What is the SMILES notation for 5-fluoro-N-[1-(2-hydroxy-4-methylbenzoyl)piperidin-4-yl]-2-(3-methylsulfanylphenoxy)pyridine-3-carboxamide?
The canonical SMILES for 5-fluoro-N-[1-(2-hydroxy-4-methylbenzoyl)piperidin-4-yl]-2-(3-methylsulfanylphenoxy)pyridine-3-carboxamide is CSc1cccc(Oc2ncc(F)cc2C(=O)NC2CCN(C(=O)c3ccc(C)cc3O)CC2)c1.
What is the InChIKey of 5-fluoro-N-[1-(2-hydroxy-4-methylbenzoyl)piperidin-4-yl]-2-(3-methylsulfanylphenoxy)pyridine-3-carboxamide?
The InChIKey is CYHSYCNMDZADSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26FN3O4S/c1-16-6-7-21(23(31)12-16)26(33)30-10-8-18(9-11-30)29-24(32)22-13-17(27)15-28-25(22)34-19-4-3-5-20(14-19)35-2/h3-7,12-15,18,31H,8-11H2,1-2H3,(H,29,32).
What are the key properties of 5-fluoro-N-[1-(2-hydroxy-4-methylbenzoyl)piperidin-4-yl]-2-(3-methylsulfanylphenoxy)pyridine-3-carboxamide?
5-fluoro-N-[1-(2-hydroxy-4-methylbenzoyl)piperidin-4-yl]-2-(3-methylsulfanylphenoxy)pyridine-3-carboxamide has a molecular weight of 495.58 g/mol, XLogP of 4.78, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[1-(2-hydroxy-4-methylbenzoyl)piperidin-4-yl]-2-(3-methylsulfanylphenoxy)pyridine-3-carboxamide is sourced from PubChem (CID 11191156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).