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

C25H30FN3O3S — CID 11294387

IUPACN-[1-(cyclohexanecarbonyl)piperidin-4-yl]-5-fluoro-2-(3-methylsulfanylphenoxy)pyridine-3-carboxamide
SMILESCSc1cccc(Oc2ncc(F)cc2C(=O)NC2CCN(C(=O)C3CCCCC3)CC2)c1
InChIInChI=1S/C25H30FN3O3S/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/h5,8-9,14-17,19H,2-4,6-7,10-13H2,1H3,(H,28,30)
InChIKeyXAYOAPKMTWGXPD-UHFFFAOYSA-N
MW471.60 g/mol
LogP5.04
Rot. Bonds6

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

N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-5-fluoro-2-(3-methylsulfanylphenoxy)pyridine-3-carboxamide (PubChem CID 11294387) has the molecular formula C25H30FN3O3S and a molecular weight of 471.60 g/mol. Its IUPAC name is N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-5-fluoro-2-(3-methylsulfanylphenoxy)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(cyclohexanecarbonyl)piperidin-4-yl]-5-fluoro-2-(3-methylsulfanylphenoxy)pyridine-3-carboxamide
PubChem CID11294387
Molecular FormulaC25H30FN3O3S
Molecular Weight471.60 g/mol
Exact Mass471.20
IUPAC NameN-[1-(cyclohexanecarbonyl)piperidin-4-yl]-5-fluoro-2-(3-methylsulfanylphenoxy)pyridine-3-carboxamide
SMILESCSc1cccc(Oc2ncc(F)cc2C(=O)NC2CCN(C(=O)C3CCCCC3)CC2)c1
InChIInChI=1S/C25H30FN3O3S/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/h5,8-9,14-17,19H,2-4,6-7,10-13H2,1H3,(H,28,30)
InChIKeyXAYOAPKMTWGXPD-UHFFFAOYSA-N
XLogP5.04
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.60
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-5-fluoro-2-(3-methylsulfanylphenoxy)pyridine-3-carboxamide?
The IUPAC name of N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-5-fluoro-2-(3-methylsulfanylphenoxy)pyridine-3-carboxamide (CID 11294387) is N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-5-fluoro-2-(3-methylsulfanylphenoxy)pyridine-3-carboxamide.
What is the SMILES notation for N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-5-fluoro-2-(3-methylsulfanylphenoxy)pyridine-3-carboxamide?
The canonical SMILES for N-[1-(cyclohexanecarbonyl)piperidin-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-(cyclohexanecarbonyl)piperidin-4-yl]-5-fluoro-2-(3-methylsulfanylphenoxy)pyridine-3-carboxamide?
The InChIKey is XAYOAPKMTWGXPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30FN3O3S/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/h5,8-9,14-17,19H,2-4,6-7,10-13H2,1H3,(H,28,30).
What are the key properties of N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-5-fluoro-2-(3-methylsulfanylphenoxy)pyridine-3-carboxamide?
N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-5-fluoro-2-(3-methylsulfanylphenoxy)pyridine-3-carboxamide has a molecular weight of 471.60 g/mol, XLogP of 5.04, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-5-fluoro-2-(3-methylsulfanylphenoxy)pyridine-3-carboxamide is sourced from PubChem (CID 11294387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).