2-(2,6-dimethylphenoxy)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-N-[(5-hydroxy-2-pyridinyl)sulfonyl]pyridine-3-carboxamide

C29H28FN3O6S — CID 121260784

About 2-(2,6-dimethylphenoxy)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-N-[(5-hydroxy-2-pyridinyl)sulfonyl]pyridine-3-carboxamide

2-(2,6-dimethylphenoxy)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-N-[(5-hydroxy-2-pyridinyl)sulfonyl]pyridine-3-carboxamide (PubChem CID 121260784) has the molecular formula C29H28FN3O6S and a molecular weight of 565.62 g/mol. Its IUPAC name is 2-(2,6-dimethylphenoxy)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-N-[(5-hydroxy-2-pyridinyl)sulfonyl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 2-(2,6-dimethylphenoxy)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-N-[(5-hydroxy-2-pyridinyl)sulfonyl]pyridine-3-carboxamide
• PubChem CID: 121260784
• Molecular Formula: C29H28FN3O6S
• Molecular Weight: 565.62 g/mol
• Exact Mass: 565.17
• IUPAC Name: 2-(2,6-dimethylphenoxy)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-N-[(5-hydroxy-2-pyridinyl)sulfonyl]pyridine-3-carboxamide
• SMILES: Cc1cccc(C)c1Oc1nc(-c2cc(F)cc(OCC(C)C)c2)ccc1C(=O)NS(=O)(=O)c1ccc(O)cn1
• InChI: InChI=1S/C29H28FN3O6S/c1-17(2)16-38-23-13-20(12-21(30)14-23)25-10-9-24(29(32-25)39-27-18(3)6-5-7-19(27)4)28(35)33-40(36,37)26-11-8-22(34)15-31-26/h5-15,17,34H,16H2,1-4H3,(H,33,35)
• InChIKey: UECXQQRSICBDTM-UHFFFAOYSA-N
• XLogP: 5.55
• TPSA: 127.71 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	565.62
LogP ≤ 5	5.55
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylphenoxy)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-N-[(5-hydroxy-2-pyridinyl)sulfonyl]pyridine-3-carboxamide?

The IUPAC name of 2-(2,6-dimethylphenoxy)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-N-[(5-hydroxy-2-pyridinyl)sulfonyl]pyridine-3-carboxamide (CID 121260784) is 2-(2,6-dimethylphenoxy)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-N-[(5-hydroxy-2-pyridinyl)sulfonyl]pyridine-3-carboxamide.

What is the SMILES notation for 2-(2,6-dimethylphenoxy)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-N-[(5-hydroxy-2-pyridinyl)sulfonyl]pyridine-3-carboxamide?

The canonical SMILES for 2-(2,6-dimethylphenoxy)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-N-[(5-hydroxy-2-pyridinyl)sulfonyl]pyridine-3-carboxamide is Cc1cccc(C)c1Oc1nc(-c2cc(F)cc(OCC(C)C)c2)ccc1C(=O)NS(=O)(=O)c1ccc(O)cn1.

What is the InChIKey of 2-(2,6-dimethylphenoxy)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-N-[(5-hydroxy-2-pyridinyl)sulfonyl]pyridine-3-carboxamide?

The InChIKey is UECXQQRSICBDTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28FN3O6S/c1-17(2)16-38-23-13-20(12-21(30)14-23)25-10-9-24(29(32-25)39-27-18(3)6-5-7-19(27)4)28(35)33-40(36,37)26-11-8-22(34)15-31-26/h5-15,17,34H,16H2,1-4H3,(H,33,35).

What are the key properties of 2-(2,6-dimethylphenoxy)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-N-[(5-hydroxy-2-pyridinyl)sulfonyl]pyridine-3-carboxamide?

2-(2,6-dimethylphenoxy)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-N-[(5-hydroxy-2-pyridinyl)sulfonyl]pyridine-3-carboxamide has a molecular weight of 565.62 g/mol, XLogP of 5.55, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,6-dimethylphenoxy)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-N-[(5-hydroxy-2-pyridinyl)sulfonyl]pyridine-3-carboxamide is sourced from PubChem (CID 121260784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).