6-[3-fluoro-5-(2-methylpropoxy)phenyl]-N-[(6-methyl-2-pyridinyl)sulfonyl]-2-[2-(oxan-4-yl)ethoxy]pyridine-3-carboxamide

C29H34FN3O6S — CID 157070705

About 6-[3-fluoro-5-(2-methylpropoxy)phenyl]-N-[(6-methyl-2-pyridinyl)sulfonyl]-2-[2-(oxan-4-yl)ethoxy]pyridine-3-carboxamide

6-[3-fluoro-5-(2-methylpropoxy)phenyl]-N-[(6-methyl-2-pyridinyl)sulfonyl]-2-[2-(oxan-4-yl)ethoxy]pyridine-3-carboxamide (PubChem CID 157070705) has the molecular formula C29H34FN3O6S and a molecular weight of 571.67 g/mol. Its IUPAC name is 6-[3-fluoro-5-(2-methylpropoxy)phenyl]-N-[(6-methyl-2-pyridinyl)sulfonyl]-2-[2-(oxan-4-yl)ethoxy]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-[3-fluoro-5-(2-methylpropoxy)phenyl]-N-[(6-methyl-2-pyridinyl)sulfonyl]-2-[2-(oxan-4-yl)ethoxy]pyridine-3-carboxamide
• PubChem CID: 157070705
• Molecular Formula: C29H34FN3O6S
• Molecular Weight: 571.67 g/mol
• Exact Mass: 571.22
• IUPAC Name: 6-[3-fluoro-5-(2-methylpropoxy)phenyl]-N-[(6-methyl-2-pyridinyl)sulfonyl]-2-[2-(oxan-4-yl)ethoxy]pyridine-3-carboxamide
• SMILES: Cc1cccc(S(=O)(=O)NC(=O)c2ccc(-c3cc(F)cc(OCC(C)C)c3)nc2OCCC2CCOCC2)n1
• InChI: InChI=1S/C29H34FN3O6S/c1-19(2)18-39-24-16-22(15-23(30)17-24)26-8-7-25(29(32-26)38-14-11-21-9-12-37-13-10-21)28(34)33-40(35,36)27-6-4-5-20(3)31-27/h4-8,15-17,19,21H,9-14,18H2,1-3H3,(H,33,34)
• InChIKey: NBWDXCSTUXUCOC-UHFFFAOYSA-N
• XLogP: 4.94
• TPSA: 116.71 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 11
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	571.67
LogP ≤ 5	4.94
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 6-[3-fluoro-5-(2-methylpropoxy)phenyl]-N-[(6-methyl-2-pyridinyl)sulfonyl]-2-[2-(oxan-4-yl)ethoxy]pyridine-3-carboxamide?

The IUPAC name of 6-[3-fluoro-5-(2-methylpropoxy)phenyl]-N-[(6-methyl-2-pyridinyl)sulfonyl]-2-[2-(oxan-4-yl)ethoxy]pyridine-3-carboxamide (CID 157070705) is 6-[3-fluoro-5-(2-methylpropoxy)phenyl]-N-[(6-methyl-2-pyridinyl)sulfonyl]-2-[2-(oxan-4-yl)ethoxy]pyridine-3-carboxamide.

What is the SMILES notation for 6-[3-fluoro-5-(2-methylpropoxy)phenyl]-N-[(6-methyl-2-pyridinyl)sulfonyl]-2-[2-(oxan-4-yl)ethoxy]pyridine-3-carboxamide?

The canonical SMILES for 6-[3-fluoro-5-(2-methylpropoxy)phenyl]-N-[(6-methyl-2-pyridinyl)sulfonyl]-2-[2-(oxan-4-yl)ethoxy]pyridine-3-carboxamide is Cc1cccc(S(=O)(=O)NC(=O)c2ccc(-c3cc(F)cc(OCC(C)C)c3)nc2OCCC2CCOCC2)n1.

What is the InChIKey of 6-[3-fluoro-5-(2-methylpropoxy)phenyl]-N-[(6-methyl-2-pyridinyl)sulfonyl]-2-[2-(oxan-4-yl)ethoxy]pyridine-3-carboxamide?

The InChIKey is NBWDXCSTUXUCOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34FN3O6S/c1-19(2)18-39-24-16-22(15-23(30)17-24)26-8-7-25(29(32-26)38-14-11-21-9-12-37-13-10-21)28(34)33-40(35,36)27-6-4-5-20(3)31-27/h4-8,15-17,19,21H,9-14,18H2,1-3H3,(H,33,34).

What are the key properties of 6-[3-fluoro-5-(2-methylpropoxy)phenyl]-N-[(6-methyl-2-pyridinyl)sulfonyl]-2-[2-(oxan-4-yl)ethoxy]pyridine-3-carboxamide?

6-[3-fluoro-5-(2-methylpropoxy)phenyl]-N-[(6-methyl-2-pyridinyl)sulfonyl]-2-[2-(oxan-4-yl)ethoxy]pyridine-3-carboxamide has a molecular weight of 571.67 g/mol, XLogP of 4.94, 11 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[3-fluoro-5-(2-methylpropoxy)phenyl]-N-[(6-methyl-2-pyridinyl)sulfonyl]-2-[2-(oxan-4-yl)ethoxy]pyridine-3-carboxamide is sourced from PubChem (CID 157070705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).