N-(1-benzoylpiperidin-4-yl)-5-fluoro-2-(3-methylsulfanylphenoxy)pyridine-3-carboxamide

C25H24FN3O3S — CID 11328787

IUPACN-(1-benzoylpiperidin-4-yl)-5-fluoro-2-(3-methylsulfanylphenoxy)pyridine-3-carboxamide
SMILESCSc1cccc(Oc2ncc(F)cc2C(=O)NC2CCN(C(=O)c3ccccc3)CC2)c1
InChIInChI=1S/C25H24FN3O3S/c1-33-21-9-5-8-20(15-21)32-24-22(14-18(26)16-27-24)23(30)28-19-10-12-29(13-11-19)25(31)17-6-3-2-4-7-17/h2-9,14-16,19H,10-13H2,1H3,(H,28,30)
InChIKeyQDZFCHCRHQZCGS-UHFFFAOYSA-N
MW465.55 g/mol
LogP4.77
Rot. Bonds6

About N-(1-benzoylpiperidin-4-yl)-5-fluoro-2-(3-methylsulfanylphenoxy)pyridine-3-carboxamide

N-(1-benzoylpiperidin-4-yl)-5-fluoro-2-(3-methylsulfanylphenoxy)pyridine-3-carboxamide (PubChem CID 11328787) has the molecular formula C25H24FN3O3S and a molecular weight of 465.55 g/mol. Its IUPAC name is N-(1-benzoylpiperidin-4-yl)-5-fluoro-2-(3-methylsulfanylphenoxy)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1-benzoylpiperidin-4-yl)-5-fluoro-2-(3-methylsulfanylphenoxy)pyridine-3-carboxamide
PubChem CID11328787
Molecular FormulaC25H24FN3O3S
Molecular Weight465.55 g/mol
Exact Mass465.15
IUPAC NameN-(1-benzoylpiperidin-4-yl)-5-fluoro-2-(3-methylsulfanylphenoxy)pyridine-3-carboxamide
SMILESCSc1cccc(Oc2ncc(F)cc2C(=O)NC2CCN(C(=O)c3ccccc3)CC2)c1
InChIInChI=1S/C25H24FN3O3S/c1-33-21-9-5-8-20(15-21)32-24-22(14-18(26)16-27-24)23(30)28-19-10-12-29(13-11-19)25(31)17-6-3-2-4-7-17/h2-9,14-16,19H,10-13H2,1H3,(H,28,30)
InChIKeyQDZFCHCRHQZCGS-UHFFFAOYSA-N
XLogP4.77
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.55
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzoylpiperidin-4-yl)-5-fluoro-2-(3-methylsulfanylphenoxy)pyridine-3-carboxamide?
The IUPAC name of N-(1-benzoylpiperidin-4-yl)-5-fluoro-2-(3-methylsulfanylphenoxy)pyridine-3-carboxamide (CID 11328787) is N-(1-benzoylpiperidin-4-yl)-5-fluoro-2-(3-methylsulfanylphenoxy)pyridine-3-carboxamide.
What is the SMILES notation for N-(1-benzoylpiperidin-4-yl)-5-fluoro-2-(3-methylsulfanylphenoxy)pyridine-3-carboxamide?
The canonical SMILES for N-(1-benzoylpiperidin-4-yl)-5-fluoro-2-(3-methylsulfanylphenoxy)pyridine-3-carboxamide is CSc1cccc(Oc2ncc(F)cc2C(=O)NC2CCN(C(=O)c3ccccc3)CC2)c1.
What is the InChIKey of N-(1-benzoylpiperidin-4-yl)-5-fluoro-2-(3-methylsulfanylphenoxy)pyridine-3-carboxamide?
The InChIKey is QDZFCHCRHQZCGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN3O3S/c1-33-21-9-5-8-20(15-21)32-24-22(14-18(26)16-27-24)23(30)28-19-10-12-29(13-11-19)25(31)17-6-3-2-4-7-17/h2-9,14-16,19H,10-13H2,1H3,(H,28,30).
What are the key properties of N-(1-benzoylpiperidin-4-yl)-5-fluoro-2-(3-methylsulfanylphenoxy)pyridine-3-carboxamide?
N-(1-benzoylpiperidin-4-yl)-5-fluoro-2-(3-methylsulfanylphenoxy)pyridine-3-carboxamide has a molecular weight of 465.55 g/mol, XLogP of 4.77, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzoylpiperidin-4-yl)-5-fluoro-2-(3-methylsulfanylphenoxy)pyridine-3-carboxamide is sourced from PubChem (CID 11328787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).