N-[(6-amino-2-pyridinyl)sulfonyl]-2-(8-azatricyclo[4.3.0.01,3]nonan-8-yl)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide

C29H32FN5O4S — CID 139459096

About N-[(6-amino-2-pyridinyl)sulfonyl]-2-(8-azatricyclo[4.3.0.01,3]nonan-8-yl)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide

N-[(6-amino-2-pyridinyl)sulfonyl]-2-(8-azatricyclo[4.3.0.01,3]nonan-8-yl)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide (PubChem CID 139459096) has the molecular formula C29H32FN5O4S and a molecular weight of 565.67 g/mol. Its IUPAC name is N-[(6-amino-2-pyridinyl)sulfonyl]-2-(8-azatricyclo[4.3.0.01,3]nonan-8-yl)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[(6-amino-2-pyridinyl)sulfonyl]-2-(8-azatricyclo[4.3.0.01,3]nonan-8-yl)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide
• PubChem CID: 139459096
• Molecular Formula: C29H32FN5O4S
• Molecular Weight: 565.67 g/mol
• Exact Mass: 565.22
• IUPAC Name: N-[(6-amino-2-pyridinyl)sulfonyl]-2-(8-azatricyclo[4.3.0.01,3]nonan-8-yl)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide
• SMILES: CC(C)COc1cc(F)cc(-c2ccc(C(=O)NS(=O)(=O)c3cccc(N)n3)c(N3CC4CCC5CC45C3)n2)c1
• InChI: InChI=1S/C29H32FN5O4S/c1-17(2)15-39-22-11-18(10-21(30)12-22)24-9-8-23(28(36)34-40(37,38)26-5-3-4-25(31)33-26)27(32-24)35-14-20-7-6-19-13-29(19,20)16-35/h3-5,8-12,17,19-20H,6-7,13-16H2,1-2H3,(H2,31,33)(H,34,36)
• InChIKey: HGYSESZCIGEANO-UHFFFAOYSA-N
• XLogP: 4.25
• TPSA: 127.51 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	565.67
LogP ≤ 5	4.25
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[(6-amino-2-pyridinyl)sulfonyl]-2-(8-azatricyclo[4.3.0.01,3]nonan-8-yl)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide?

The IUPAC name of N-[(6-amino-2-pyridinyl)sulfonyl]-2-(8-azatricyclo[4.3.0.01,3]nonan-8-yl)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide (CID 139459096) is N-[(6-amino-2-pyridinyl)sulfonyl]-2-(8-azatricyclo[4.3.0.01,3]nonan-8-yl)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide.

What is the SMILES notation for N-[(6-amino-2-pyridinyl)sulfonyl]-2-(8-azatricyclo[4.3.0.01,3]nonan-8-yl)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide?

The canonical SMILES for N-[(6-amino-2-pyridinyl)sulfonyl]-2-(8-azatricyclo[4.3.0.01,3]nonan-8-yl)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide is CC(C)COc1cc(F)cc(-c2ccc(C(=O)NS(=O)(=O)c3cccc(N)n3)c(N3CC4CCC5CC45C3)n2)c1.

What is the InChIKey of N-[(6-amino-2-pyridinyl)sulfonyl]-2-(8-azatricyclo[4.3.0.01,3]nonan-8-yl)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide?

The InChIKey is HGYSESZCIGEANO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32FN5O4S/c1-17(2)15-39-22-11-18(10-21(30)12-22)24-9-8-23(28(36)34-40(37,38)26-5-3-4-25(31)33-26)27(32-24)35-14-20-7-6-19-13-29(19,20)16-35/h3-5,8-12,17,19-20H,6-7,13-16H2,1-2H3,(H2,31,33)(H,34,36).

What are the key properties of N-[(6-amino-2-pyridinyl)sulfonyl]-2-(8-azatricyclo[4.3.0.01,3]nonan-8-yl)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide?

N-[(6-amino-2-pyridinyl)sulfonyl]-2-(8-azatricyclo[4.3.0.01,3]nonan-8-yl)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide has a molecular weight of 565.67 g/mol, XLogP of 4.25, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(6-amino-2-pyridinyl)sulfonyl]-2-(8-azatricyclo[4.3.0.01,3]nonan-8-yl)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 139459096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).