N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(3-phenylmethoxybutoxy)pyridine-3-carboxamide

C32H35FN4O6S — CID 175514807

About N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(3-phenylmethoxybutoxy)pyridine-3-carboxamide

N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(3-phenylmethoxybutoxy)pyridine-3-carboxamide (PubChem CID 175514807) has the molecular formula C32H35FN4O6S and a molecular weight of 622.72 g/mol. Its IUPAC name is N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(3-phenylmethoxybutoxy)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(3-phenylmethoxybutoxy)pyridine-3-carboxamide
• PubChem CID: 175514807
• Molecular Formula: C32H35FN4O6S
• Molecular Weight: 622.72 g/mol
• Exact Mass: 622.23
• IUPAC Name: N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(3-phenylmethoxybutoxy)pyridine-3-carboxamide
• SMILES: CC(C)COc1cc(F)cc(-c2ccc(C(=O)NS(=O)(=O)c3cccc(N)n3)c(OCCC(C)OCc3ccccc3)n2)c1
• InChI: InChI=1S/C32H35FN4O6S/c1-21(2)19-43-26-17-24(16-25(33)18-26)28-13-12-27(31(38)37-44(39,40)30-11-7-10-29(34)36-30)32(35-28)41-15-14-22(3)42-20-23-8-5-4-6-9-23/h4-13,16-18,21-22H,14-15,19-20H2,1-3H3,(H2,34,36)(H,37,38)
• InChIKey: HWDXQQLPWWROJK-UHFFFAOYSA-N
• XLogP: 5.39
• TPSA: 142.73 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 14
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	622.72
LogP ≤ 5	5.39
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(3-phenylmethoxybutoxy)pyridine-3-carboxamide (CID 175514807) is N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(3-phenylmethoxybutoxy)pyridine-3-carboxamide.

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

The canonical SMILES for N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(3-phenylmethoxybutoxy)pyridine-3-carboxamide is CC(C)COc1cc(F)cc(-c2ccc(C(=O)NS(=O)(=O)c3cccc(N)n3)c(OCCC(C)OCc3ccccc3)n2)c1.

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

The InChIKey is HWDXQQLPWWROJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35FN4O6S/c1-21(2)19-43-26-17-24(16-25(33)18-26)28-13-12-27(31(38)37-44(39,40)30-11-7-10-29(34)36-30)32(35-28)41-15-14-22(3)42-20-23-8-5-4-6-9-23/h4-13,16-18,21-22H,14-15,19-20H2,1-3H3,(H2,34,36)(H,37,38).

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

N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(3-phenylmethoxybutoxy)pyridine-3-carboxamide has a molecular weight of 622.72 g/mol, XLogP of 5.39, 14 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(3-phenylmethoxybutoxy)pyridine-3-carboxamide is sourced from PubChem (CID 175514807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).