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

C20H22FN3O3S — CID 11165584

IUPACN-(1-acetylpiperidin-4-yl)-5-fluoro-2-(4-methylsulfanylphenoxy)pyridine-3-carboxamide
SMILESCSc1ccc(Oc2ncc(F)cc2C(=O)NC2CCN(C(C)=O)CC2)cc1
InChIInChI=1S/C20H22FN3O3S/c1-13(25)24-9-7-15(8-10-24)23-19(26)18-11-14(21)12-22-20(18)27-16-3-5-17(28-2)6-4-16/h3-6,11-12,15H,7-10H2,1-2H3,(H,23,26)
InChIKeyVOSACPKQMIGYRA-UHFFFAOYSA-N
MW403.48 g/mol
LogP3.48
Rot. Bonds5

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

N-(1-acetylpiperidin-4-yl)-5-fluoro-2-(4-methylsulfanylphenoxy)pyridine-3-carboxamide (PubChem CID 11165584) has the molecular formula C20H22FN3O3S and a molecular weight of 403.48 g/mol. Its IUPAC name is N-(1-acetylpiperidin-4-yl)-5-fluoro-2-(4-methylsulfanylphenoxy)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1-acetylpiperidin-4-yl)-5-fluoro-2-(4-methylsulfanylphenoxy)pyridine-3-carboxamide
PubChem CID11165584
Molecular FormulaC20H22FN3O3S
Molecular Weight403.48 g/mol
Exact Mass403.14
IUPAC NameN-(1-acetylpiperidin-4-yl)-5-fluoro-2-(4-methylsulfanylphenoxy)pyridine-3-carboxamide
SMILESCSc1ccc(Oc2ncc(F)cc2C(=O)NC2CCN(C(C)=O)CC2)cc1
InChIInChI=1S/C20H22FN3O3S/c1-13(25)24-9-7-15(8-10-24)23-19(26)18-11-14(21)12-22-20(18)27-16-3-5-17(28-2)6-4-16/h3-6,11-12,15H,7-10H2,1-2H3,(H,23,26)
InChIKeyVOSACPKQMIGYRA-UHFFFAOYSA-N
XLogP3.48
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.48
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-acetylpiperidin-4-yl)-5-fluoro-2-(4-methylsulfanylphenoxy)pyridine-3-carboxamide?
The IUPAC name of N-(1-acetylpiperidin-4-yl)-5-fluoro-2-(4-methylsulfanylphenoxy)pyridine-3-carboxamide (CID 11165584) is N-(1-acetylpiperidin-4-yl)-5-fluoro-2-(4-methylsulfanylphenoxy)pyridine-3-carboxamide.
What is the SMILES notation for N-(1-acetylpiperidin-4-yl)-5-fluoro-2-(4-methylsulfanylphenoxy)pyridine-3-carboxamide?
The canonical SMILES for N-(1-acetylpiperidin-4-yl)-5-fluoro-2-(4-methylsulfanylphenoxy)pyridine-3-carboxamide is CSc1ccc(Oc2ncc(F)cc2C(=O)NC2CCN(C(C)=O)CC2)cc1.
What is the InChIKey of N-(1-acetylpiperidin-4-yl)-5-fluoro-2-(4-methylsulfanylphenoxy)pyridine-3-carboxamide?
The InChIKey is VOSACPKQMIGYRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3O3S/c1-13(25)24-9-7-15(8-10-24)23-19(26)18-11-14(21)12-22-20(18)27-16-3-5-17(28-2)6-4-16/h3-6,11-12,15H,7-10H2,1-2H3,(H,23,26).
What are the key properties of N-(1-acetylpiperidin-4-yl)-5-fluoro-2-(4-methylsulfanylphenoxy)pyridine-3-carboxamide?
N-(1-acetylpiperidin-4-yl)-5-fluoro-2-(4-methylsulfanylphenoxy)pyridine-3-carboxamide has a molecular weight of 403.48 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-acetylpiperidin-4-yl)-5-fluoro-2-(4-methylsulfanylphenoxy)pyridine-3-carboxamide is sourced from PubChem (CID 11165584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).