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

C29H29FN4O5S — CID 121250838

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

N-[(6-amino-2-pyridinyl)sulfonyl]-2-(2,6-dimethylphenoxy)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide (PubChem CID 121250838) has the molecular formula C29H29FN4O5S and a molecular weight of 564.64 g/mol. Its IUPAC name is N-[(6-amino-2-pyridinyl)sulfonyl]-2-(2,6-dimethylphenoxy)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[(6-amino-2-pyridinyl)sulfonyl]-2-(2,6-dimethylphenoxy)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide
• PubChem CID: 121250838
• Molecular Formula: C29H29FN4O5S
• Molecular Weight: 564.64 g/mol
• Exact Mass: 564.18
• IUPAC Name: N-[(6-amino-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)c1cccc(N)n1
• InChI: InChI=1S/C29H29FN4O5S/c1-17(2)16-38-22-14-20(13-21(30)15-22)24-12-11-23(29(32-24)39-27-18(3)7-5-8-19(27)4)28(35)34-40(36,37)26-10-6-9-25(31)33-26/h5-15,17H,16H2,1-4H3,(H2,31,33)(H,34,35)
• InChIKey: BXUXLKIMZTVOLX-UHFFFAOYSA-N
• XLogP: 5.43
• TPSA: 133.50 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	564.64
LogP ≤ 5	5.43
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-(2,6-dimethylphenoxy)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide?

The IUPAC name of N-[(6-amino-2-pyridinyl)sulfonyl]-2-(2,6-dimethylphenoxy)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide (CID 121250838) is N-[(6-amino-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-2-pyridinyl)sulfonyl]-2-(2,6-dimethylphenoxy)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide?

The canonical SMILES for N-[(6-amino-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)c1cccc(N)n1.

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

The InChIKey is BXUXLKIMZTVOLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29FN4O5S/c1-17(2)16-38-22-14-20(13-21(30)15-22)24-12-11-23(29(32-24)39-27-18(3)7-5-8-19(27)4)28(35)34-40(36,37)26-10-6-9-25(31)33-26/h5-15,17H,16H2,1-4H3,(H2,31,33)(H,34,35).

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

N-[(6-amino-2-pyridinyl)sulfonyl]-2-(2,6-dimethylphenoxy)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide has a molecular weight of 564.64 g/mol, XLogP of 5.43, 9 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-(2,6-dimethylphenoxy)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 121250838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).