N-[(6-amino-2-pyridinyl)sulfonyl]-2-(2,4-dimethylphenoxy)-6-(6-methoxy-5-methyl-3-pyridinyl)pyridine-3-carboxamide

C26H25N5O5S — CID 121253071

About N-[(6-amino-2-pyridinyl)sulfonyl]-2-(2,4-dimethylphenoxy)-6-(6-methoxy-5-methyl-3-pyridinyl)pyridine-3-carboxamide

N-[(6-amino-2-pyridinyl)sulfonyl]-2-(2,4-dimethylphenoxy)-6-(6-methoxy-5-methyl-3-pyridinyl)pyridine-3-carboxamide (PubChem CID 121253071) has the molecular formula C26H25N5O5S and a molecular weight of 519.58 g/mol. Its IUPAC name is N-[(6-amino-2-pyridinyl)sulfonyl]-2-(2,4-dimethylphenoxy)-6-(6-methoxy-5-methyl-3-pyridinyl)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[(6-amino-2-pyridinyl)sulfonyl]-2-(2,4-dimethylphenoxy)-6-(6-methoxy-5-methyl-3-pyridinyl)pyridine-3-carboxamide
• PubChem CID: 121253071
• Molecular Formula: C26H25N5O5S
• Molecular Weight: 519.58 g/mol
• Exact Mass: 519.16
• IUPAC Name: N-[(6-amino-2-pyridinyl)sulfonyl]-2-(2,4-dimethylphenoxy)-6-(6-methoxy-5-methyl-3-pyridinyl)pyridine-3-carboxamide
• SMILES: COc1ncc(-c2ccc(C(=O)NS(=O)(=O)c3cccc(N)n3)c(Oc3ccc(C)cc3C)n2)cc1C
• InChI: InChI=1S/C26H25N5O5S/c1-15-8-11-21(16(2)12-15)36-26-19(24(32)31-37(33,34)23-7-5-6-22(27)30-23)9-10-20(29-26)18-13-17(3)25(35-4)28-14-18/h5-14H,1-4H3,(H2,27,30)(H,31,32)
• InChIKey: VHBSGTWOAGLRBC-UHFFFAOYSA-N
• XLogP: 3.97
• TPSA: 146.39 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	519.58
LogP ≤ 5	3.97
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]-2-(2,4-dimethylphenoxy)-6-(6-methoxy-5-methyl-3-pyridinyl)pyridine-3-carboxamide?

The IUPAC name of N-[(6-amino-2-pyridinyl)sulfonyl]-2-(2,4-dimethylphenoxy)-6-(6-methoxy-5-methyl-3-pyridinyl)pyridine-3-carboxamide (CID 121253071) is N-[(6-amino-2-pyridinyl)sulfonyl]-2-(2,4-dimethylphenoxy)-6-(6-methoxy-5-methyl-3-pyridinyl)pyridine-3-carboxamide.

What is the SMILES notation for N-[(6-amino-2-pyridinyl)sulfonyl]-2-(2,4-dimethylphenoxy)-6-(6-methoxy-5-methyl-3-pyridinyl)pyridine-3-carboxamide?

The canonical SMILES for N-[(6-amino-2-pyridinyl)sulfonyl]-2-(2,4-dimethylphenoxy)-6-(6-methoxy-5-methyl-3-pyridinyl)pyridine-3-carboxamide is COc1ncc(-c2ccc(C(=O)NS(=O)(=O)c3cccc(N)n3)c(Oc3ccc(C)cc3C)n2)cc1C.

What is the InChIKey of N-[(6-amino-2-pyridinyl)sulfonyl]-2-(2,4-dimethylphenoxy)-6-(6-methoxy-5-methyl-3-pyridinyl)pyridine-3-carboxamide?

The InChIKey is VHBSGTWOAGLRBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5O5S/c1-15-8-11-21(16(2)12-15)36-26-19(24(32)31-37(33,34)23-7-5-6-22(27)30-23)9-10-20(29-26)18-13-17(3)25(35-4)28-14-18/h5-14H,1-4H3,(H2,27,30)(H,31,32).

What are the key properties of N-[(6-amino-2-pyridinyl)sulfonyl]-2-(2,4-dimethylphenoxy)-6-(6-methoxy-5-methyl-3-pyridinyl)pyridine-3-carboxamide?

N-[(6-amino-2-pyridinyl)sulfonyl]-2-(2,4-dimethylphenoxy)-6-(6-methoxy-5-methyl-3-pyridinyl)pyridine-3-carboxamide has a molecular weight of 519.58 g/mol, XLogP of 3.97, 7 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]-2-(2,4-dimethylphenoxy)-6-(6-methoxy-5-methyl-3-pyridinyl)pyridine-3-carboxamide is sourced from PubChem (CID 121253071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).