N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(1-phenylethoxy)pyridine-3-carboxamide

C29H29FN4O5S — CID 121254196

About N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(1-phenylethoxy)pyridine-3-carboxamide

N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(1-phenylethoxy)pyridine-3-carboxamide (PubChem CID 121254196) has the molecular formula C29H29FN4O5S and a molecular weight of 564.64 g/mol. Its IUPAC name is N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(1-phenylethoxy)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(1-phenylethoxy)pyridine-3-carboxamide
• PubChem CID: 121254196
• Molecular Formula: C29H29FN4O5S
• Molecular Weight: 564.64 g/mol
• Exact Mass: 564.18
• IUPAC Name: N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(1-phenylethoxy)pyridine-3-carboxamide
• SMILES: CC(C)COc1cc(F)cc(-c2ccc(C(=O)NS(=O)(=O)c3cccc(N)n3)c(OC(C)c3ccccc3)n2)c1
• InChI: InChI=1S/C29H29FN4O5S/c1-18(2)17-38-23-15-21(14-22(30)16-23)25-13-12-24(29(32-25)39-19(3)20-8-5-4-6-9-20)28(35)34-40(36,37)27-11-7-10-26(31)33-27/h4-16,18-19H,17H2,1-3H3,(H2,31,33)(H,34,35)
• InChIKey: MEBUKJZQPQKBCC-UHFFFAOYSA-N
• XLogP: 5.16
• TPSA: 133.50 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	564.64
LogP ≤ 5	5.16
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]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(1-phenylethoxy)pyridine-3-carboxamide?

The IUPAC name of N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(1-phenylethoxy)pyridine-3-carboxamide (CID 121254196) is N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(1-phenylethoxy)pyridine-3-carboxamide.

What is the SMILES notation for N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(1-phenylethoxy)pyridine-3-carboxamide?

The canonical SMILES for N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(1-phenylethoxy)pyridine-3-carboxamide is CC(C)COc1cc(F)cc(-c2ccc(C(=O)NS(=O)(=O)c3cccc(N)n3)c(OC(C)c3ccccc3)n2)c1.

What is the InChIKey of N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(1-phenylethoxy)pyridine-3-carboxamide?

The InChIKey is MEBUKJZQPQKBCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29FN4O5S/c1-18(2)17-38-23-15-21(14-22(30)16-23)25-13-12-24(29(32-25)39-19(3)20-8-5-4-6-9-20)28(35)34-40(36,37)27-11-7-10-26(31)33-27/h4-16,18-19H,17H2,1-3H3,(H2,31,33)(H,34,35).

What are the key properties of N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(1-phenylethoxy)pyridine-3-carboxamide?

N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(1-phenylethoxy)pyridine-3-carboxamide has a molecular weight of 564.64 g/mol, XLogP of 5.16, 10 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]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(1-phenylethoxy)pyridine-3-carboxamide is sourced from PubChem (CID 121254196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).