6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(3-methylcyclopentyl)oxy-N-[(6-methyl-2-pyridinyl)sulfonyl]pyridine-3-carboxamide;molecular hydrogen

C28H36FN3O5S — CID 161345936

About 6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(3-methylcyclopentyl)oxy-N-[(6-methyl-2-pyridinyl)sulfonyl]pyridine-3-carboxamide;molecular hydrogen

6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(3-methylcyclopentyl)oxy-N-[(6-methyl-2-pyridinyl)sulfonyl]pyridine-3-carboxamide;molecular hydrogen (PubChem CID 161345936) has the molecular formula C28H36FN3O5S and a molecular weight of 545.68 g/mol. Its IUPAC name is 6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(3-methylcyclopentyl)oxy-N-[(6-methyl-2-pyridinyl)sulfonyl]pyridine-3-carboxamide;molecular hydrogen.

Molecular Properties

• Compound Name: 6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(3-methylcyclopentyl)oxy-N-[(6-methyl-2-pyridinyl)sulfonyl]pyridine-3-carboxamide;molecular hydrogen
• PubChem CID: 161345936
• Molecular Formula: C28H36FN3O5S
• Molecular Weight: 545.68 g/mol
• Exact Mass: 545.24
• IUPAC Name: 6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(3-methylcyclopentyl)oxy-N-[(6-methyl-2-pyridinyl)sulfonyl]pyridine-3-carboxamide;molecular hydrogen
• SMILES: Cc1cccc(S(=O)(=O)NC(=O)c2ccc(-c3cc(F)cc(OCC(C)C)c3)nc2OC2CCC(C)C2)n1.[H][H].[H][H]
• InChI: InChI=1S/C28H32FN3O5S.2H2/c1-17(2)16-36-23-14-20(13-21(29)15-23)25-11-10-24(28(31-25)37-22-9-8-18(3)12-22)27(33)32-38(34,35)26-7-5-6-19(4)30-26;;/h5-7,10-11,13-15,17-18,22H,8-9,12,16H2,1-4H3,(H,32,33);2*1H
• InChIKey: VNHCOPPNKYLEQD-UHFFFAOYSA-N
• XLogP: 5.80
• TPSA: 107.48 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	545.68
LogP ≤ 5	5.80
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(3-methylcyclopentyl)oxy-N-[(6-methyl-2-pyridinyl)sulfonyl]pyridine-3-carboxamide;molecular hydrogen?

The IUPAC name of 6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(3-methylcyclopentyl)oxy-N-[(6-methyl-2-pyridinyl)sulfonyl]pyridine-3-carboxamide;molecular hydrogen (CID 161345936) is 6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(3-methylcyclopentyl)oxy-N-[(6-methyl-2-pyridinyl)sulfonyl]pyridine-3-carboxamide;molecular hydrogen.

What is the SMILES notation for 6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(3-methylcyclopentyl)oxy-N-[(6-methyl-2-pyridinyl)sulfonyl]pyridine-3-carboxamide;molecular hydrogen?

The canonical SMILES for 6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(3-methylcyclopentyl)oxy-N-[(6-methyl-2-pyridinyl)sulfonyl]pyridine-3-carboxamide;molecular hydrogen is Cc1cccc(S(=O)(=O)NC(=O)c2ccc(-c3cc(F)cc(OCC(C)C)c3)nc2OC2CCC(C)C2)n1.[H][H].[H][H].

What is the InChIKey of 6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(3-methylcyclopentyl)oxy-N-[(6-methyl-2-pyridinyl)sulfonyl]pyridine-3-carboxamide;molecular hydrogen?

The InChIKey is VNHCOPPNKYLEQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32FN3O5S.2H2/c1-17(2)16-36-23-14-20(13-21(29)15-23)25-11-10-24(28(31-25)37-22-9-8-18(3)12-22)27(33)32-38(34,35)26-7-5-6-19(4)30-26;;/h5-7,10-11,13-15,17-18,22H,8-9,12,16H2,1-4H3,(H,32,33);2*1H.

What are the key properties of 6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(3-methylcyclopentyl)oxy-N-[(6-methyl-2-pyridinyl)sulfonyl]pyridine-3-carboxamide;molecular hydrogen?

6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(3-methylcyclopentyl)oxy-N-[(6-methyl-2-pyridinyl)sulfonyl]pyridine-3-carboxamide;molecular hydrogen has a molecular weight of 545.68 g/mol, XLogP of 5.80, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(3-methylcyclopentyl)oxy-N-[(6-methyl-2-pyridinyl)sulfonyl]pyridine-3-carboxamide;molecular hydrogen is sourced from PubChem (CID 161345936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).