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

C24H23FN4O3S — CID 11167225

IUPAC5-fluoro-2-(3-methylsulfanylphenoxy)-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]pyridine-3-carboxamide
SMILESCSc1cccc(Oc2ncc(F)cc2C(=O)NC2CCN(C(=O)c3cccnc3)CC2)c1
InChIInChI=1S/C24H23FN4O3S/c1-33-20-6-2-5-19(13-20)32-23-21(12-17(25)15-27-23)22(30)28-18-7-10-29(11-8-18)24(31)16-4-3-9-26-14-16/h2-6,9,12-15,18H,7-8,10-11H2,1H3,(H,28,30)
InChIKeyWYGPZJHLVLSLKT-UHFFFAOYSA-N
MW466.54 g/mol
LogP4.16
Rot. Bonds6

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

5-fluoro-2-(3-methylsulfanylphenoxy)-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]pyridine-3-carboxamide (PubChem CID 11167225) has the molecular formula C24H23FN4O3S and a molecular weight of 466.54 g/mol. Its IUPAC name is 5-fluoro-2-(3-methylsulfanylphenoxy)-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-fluoro-2-(3-methylsulfanylphenoxy)-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]pyridine-3-carboxamide
PubChem CID11167225
Molecular FormulaC24H23FN4O3S
Molecular Weight466.54 g/mol
Exact Mass466.15
IUPAC Name5-fluoro-2-(3-methylsulfanylphenoxy)-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]pyridine-3-carboxamide
SMILESCSc1cccc(Oc2ncc(F)cc2C(=O)NC2CCN(C(=O)c3cccnc3)CC2)c1
InChIInChI=1S/C24H23FN4O3S/c1-33-20-6-2-5-19(13-20)32-23-21(12-17(25)15-27-23)22(30)28-18-7-10-29(11-8-18)24(31)16-4-3-9-26-14-16/h2-6,9,12-15,18H,7-8,10-11H2,1H3,(H,28,30)
InChIKeyWYGPZJHLVLSLKT-UHFFFAOYSA-N
XLogP4.16
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.54
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(3-methylsulfanylphenoxy)-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]pyridine-3-carboxamide?
The IUPAC name of 5-fluoro-2-(3-methylsulfanylphenoxy)-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]pyridine-3-carboxamide (CID 11167225) is 5-fluoro-2-(3-methylsulfanylphenoxy)-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]pyridine-3-carboxamide.
What is the SMILES notation for 5-fluoro-2-(3-methylsulfanylphenoxy)-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]pyridine-3-carboxamide?
The canonical SMILES for 5-fluoro-2-(3-methylsulfanylphenoxy)-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]pyridine-3-carboxamide is CSc1cccc(Oc2ncc(F)cc2C(=O)NC2CCN(C(=O)c3cccnc3)CC2)c1.
What is the InChIKey of 5-fluoro-2-(3-methylsulfanylphenoxy)-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]pyridine-3-carboxamide?
The InChIKey is WYGPZJHLVLSLKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN4O3S/c1-33-20-6-2-5-19(13-20)32-23-21(12-17(25)15-27-23)22(30)28-18-7-10-29(11-8-18)24(31)16-4-3-9-26-14-16/h2-6,9,12-15,18H,7-8,10-11H2,1H3,(H,28,30).
What are the key properties of 5-fluoro-2-(3-methylsulfanylphenoxy)-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]pyridine-3-carboxamide?
5-fluoro-2-(3-methylsulfanylphenoxy)-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]pyridine-3-carboxamide has a molecular weight of 466.54 g/mol, XLogP of 4.16, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(3-methylsulfanylphenoxy)-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]pyridine-3-carboxamide is sourced from PubChem (CID 11167225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).