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

C25H24FN3O4S — CID 11465789

IUPAC5-fluoro-N-[1-(2-hydroxybenzoyl)piperidin-4-yl]-2-(3-methylsulfanylphenoxy)pyridine-3-carboxamide
SMILESCSc1cccc(Oc2ncc(F)cc2C(=O)NC2CCN(C(=O)c3ccccc3O)CC2)c1
InChIInChI=1S/C25H24FN3O4S/c1-34-19-6-4-5-18(14-19)33-24-21(13-16(26)15-27-24)23(31)28-17-9-11-29(12-10-17)25(32)20-7-2-3-8-22(20)30/h2-8,13-15,17,30H,9-12H2,1H3,(H,28,31)
InChIKeySOYGVJGKJLHYQZ-UHFFFAOYSA-N
MW481.55 g/mol
LogP4.48
Rot. Bonds6

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

5-fluoro-N-[1-(2-hydroxybenzoyl)piperidin-4-yl]-2-(3-methylsulfanylphenoxy)pyridine-3-carboxamide (PubChem CID 11465789) has the molecular formula C25H24FN3O4S and a molecular weight of 481.55 g/mol. Its IUPAC name is 5-fluoro-N-[1-(2-hydroxybenzoyl)piperidin-4-yl]-2-(3-methylsulfanylphenoxy)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-fluoro-N-[1-(2-hydroxybenzoyl)piperidin-4-yl]-2-(3-methylsulfanylphenoxy)pyridine-3-carboxamide
PubChem CID11465789
Molecular FormulaC25H24FN3O4S
Molecular Weight481.55 g/mol
Exact Mass481.15
IUPAC Name5-fluoro-N-[1-(2-hydroxybenzoyl)piperidin-4-yl]-2-(3-methylsulfanylphenoxy)pyridine-3-carboxamide
SMILESCSc1cccc(Oc2ncc(F)cc2C(=O)NC2CCN(C(=O)c3ccccc3O)CC2)c1
InChIInChI=1S/C25H24FN3O4S/c1-34-19-6-4-5-18(14-19)33-24-21(13-16(26)15-27-24)23(31)28-17-9-11-29(12-10-17)25(32)20-7-2-3-8-22(20)30/h2-8,13-15,17,30H,9-12H2,1H3,(H,28,31)
InChIKeySOYGVJGKJLHYQZ-UHFFFAOYSA-N
XLogP4.48
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.55
LogP ≤ 54.48
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-hydroxybenzoyl)piperidin-4-yl]-2-(3-methylsulfanylphenoxy)pyridine-3-carboxamide?
The IUPAC name of 5-fluoro-N-[1-(2-hydroxybenzoyl)piperidin-4-yl]-2-(3-methylsulfanylphenoxy)pyridine-3-carboxamide (CID 11465789) is 5-fluoro-N-[1-(2-hydroxybenzoyl)piperidin-4-yl]-2-(3-methylsulfanylphenoxy)pyridine-3-carboxamide.
What is the SMILES notation for 5-fluoro-N-[1-(2-hydroxybenzoyl)piperidin-4-yl]-2-(3-methylsulfanylphenoxy)pyridine-3-carboxamide?
The canonical SMILES for 5-fluoro-N-[1-(2-hydroxybenzoyl)piperidin-4-yl]-2-(3-methylsulfanylphenoxy)pyridine-3-carboxamide is CSc1cccc(Oc2ncc(F)cc2C(=O)NC2CCN(C(=O)c3ccccc3O)CC2)c1.
What is the InChIKey of 5-fluoro-N-[1-(2-hydroxybenzoyl)piperidin-4-yl]-2-(3-methylsulfanylphenoxy)pyridine-3-carboxamide?
The InChIKey is SOYGVJGKJLHYQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN3O4S/c1-34-19-6-4-5-18(14-19)33-24-21(13-16(26)15-27-24)23(31)28-17-9-11-29(12-10-17)25(32)20-7-2-3-8-22(20)30/h2-8,13-15,17,30H,9-12H2,1H3,(H,28,31).
What are the key properties of 5-fluoro-N-[1-(2-hydroxybenzoyl)piperidin-4-yl]-2-(3-methylsulfanylphenoxy)pyridine-3-carboxamide?
5-fluoro-N-[1-(2-hydroxybenzoyl)piperidin-4-yl]-2-(3-methylsulfanylphenoxy)pyridine-3-carboxamide has a molecular weight of 481.55 g/mol, XLogP of 4.48, 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-hydroxybenzoyl)piperidin-4-yl]-2-(3-methylsulfanylphenoxy)pyridine-3-carboxamide is sourced from PubChem (CID 11465789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).