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

C29H29FN4O6S — CID 121251183

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

N-[(6-amino-5-hydroxy-2-pyridinyl)sulfonyl]-2-(2,6-dimethylphenoxy)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide (PubChem CID 121251183) has the molecular formula C29H29FN4O6S and a molecular weight of 580.64 g/mol. Its IUPAC name is N-[(6-amino-5-hydroxy-2-pyridinyl)sulfonyl]-2-(2,6-dimethylphenoxy)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[(6-amino-5-hydroxy-2-pyridinyl)sulfonyl]-2-(2,6-dimethylphenoxy)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide
• PubChem CID: 121251183
• Molecular Formula: C29H29FN4O6S
• Molecular Weight: 580.64 g/mol
• Exact Mass: 580.18
• IUPAC Name: N-[(6-amino-5-hydroxy-2-pyridinyl)sulfonyl]-2-(2,6-dimethylphenoxy)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide
• SMILES: Cc1cccc(C)c1Oc1nc(-c2cc(F)cc(OCC(C)C)c2)ccc1C(=O)NS(=O)(=O)c1ccc(O)c(N)n1
• InChI: InChI=1S/C29H29FN4O6S/c1-16(2)15-39-21-13-19(12-20(30)14-21)23-9-8-22(29(32-23)40-26-17(3)6-5-7-18(26)4)28(36)34-41(37,38)25-11-10-24(35)27(31)33-25/h5-14,16,35H,15H2,1-4H3,(H2,31,33)(H,34,36)
• InChIKey: MLZWQGUYMPLNQC-UHFFFAOYSA-N
• XLogP: 5.13
• TPSA: 153.73 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	580.64
LogP ≤ 5	5.13
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of N-[(6-amino-5-hydroxy-2-pyridinyl)sulfonyl]-2-(2,6-dimethylphenoxy)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide (CID 121251183) is N-[(6-amino-5-hydroxy-2-pyridinyl)sulfonyl]-2-(2,6-dimethylphenoxy)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide.

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

The canonical SMILES for N-[(6-amino-5-hydroxy-2-pyridinyl)sulfonyl]-2-(2,6-dimethylphenoxy)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide is Cc1cccc(C)c1Oc1nc(-c2cc(F)cc(OCC(C)C)c2)ccc1C(=O)NS(=O)(=O)c1ccc(O)c(N)n1.

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

The InChIKey is MLZWQGUYMPLNQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29FN4O6S/c1-16(2)15-39-21-13-19(12-20(30)14-21)23-9-8-22(29(32-23)40-26-17(3)6-5-7-18(26)4)28(36)34-41(37,38)25-11-10-24(35)27(31)33-25/h5-14,16,35H,15H2,1-4H3,(H2,31,33)(H,34,36).

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

N-[(6-amino-5-hydroxy-2-pyridinyl)sulfonyl]-2-(2,6-dimethylphenoxy)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide has a molecular weight of 580.64 g/mol, XLogP of 5.13, 9 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(6-amino-5-hydroxy-2-pyridinyl)sulfonyl]-2-(2,6-dimethylphenoxy)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 121251183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).