6-(3,4-dimethoxyphenyl)-N-[(6-methyl-2-pyridinyl)sulfonyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide

C29H29N3O6S — CID 138545759

About 6-(3,4-dimethoxyphenyl)-N-[(6-methyl-2-pyridinyl)sulfonyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide

6-(3,4-dimethoxyphenyl)-N-[(6-methyl-2-pyridinyl)sulfonyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide (PubChem CID 138545759) has the molecular formula C29H29N3O6S and a molecular weight of 547.63 g/mol. Its IUPAC name is 6-(3,4-dimethoxyphenyl)-N-[(6-methyl-2-pyridinyl)sulfonyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-(3,4-dimethoxyphenyl)-N-[(6-methyl-2-pyridinyl)sulfonyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide
• PubChem CID: 138545759
• Molecular Formula: C29H29N3O6S
• Molecular Weight: 547.63 g/mol
• Exact Mass: 547.18
• IUPAC Name: 6-(3,4-dimethoxyphenyl)-N-[(6-methyl-2-pyridinyl)sulfonyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide
• SMILES: COc1ccc(-c2ccc(C(=O)NS(=O)(=O)c3cccc(C)n3)c(Oc3c(C)cc(C)cc3C)n2)cc1OC
• InChI: InChI=1S/C29H29N3O6S/c1-17-14-18(2)27(19(3)15-17)38-29-22(28(33)32-39(34,35)26-9-7-8-20(4)30-26)11-12-23(31-29)21-10-13-24(36-5)25(16-21)37-6/h7-16H,1-6H3,(H,32,33)
• InChIKey: UFPOXPSWBIJHSR-UHFFFAOYSA-N
• XLogP: 5.31
• TPSA: 116.71 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	547.63
LogP ≤ 5	5.31
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dimethoxyphenyl)-N-[(6-methyl-2-pyridinyl)sulfonyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide?

The IUPAC name of 6-(3,4-dimethoxyphenyl)-N-[(6-methyl-2-pyridinyl)sulfonyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide (CID 138545759) is 6-(3,4-dimethoxyphenyl)-N-[(6-methyl-2-pyridinyl)sulfonyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide.

What is the SMILES notation for 6-(3,4-dimethoxyphenyl)-N-[(6-methyl-2-pyridinyl)sulfonyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide?

The canonical SMILES for 6-(3,4-dimethoxyphenyl)-N-[(6-methyl-2-pyridinyl)sulfonyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide is COc1ccc(-c2ccc(C(=O)NS(=O)(=O)c3cccc(C)n3)c(Oc3c(C)cc(C)cc3C)n2)cc1OC.

What is the InChIKey of 6-(3,4-dimethoxyphenyl)-N-[(6-methyl-2-pyridinyl)sulfonyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide?

The InChIKey is UFPOXPSWBIJHSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29N3O6S/c1-17-14-18(2)27(19(3)15-17)38-29-22(28(33)32-39(34,35)26-9-7-8-20(4)30-26)11-12-23(31-29)21-10-13-24(36-5)25(16-21)37-6/h7-16H,1-6H3,(H,32,33).

What are the key properties of 6-(3,4-dimethoxyphenyl)-N-[(6-methyl-2-pyridinyl)sulfonyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide?

6-(3,4-dimethoxyphenyl)-N-[(6-methyl-2-pyridinyl)sulfonyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide has a molecular weight of 547.63 g/mol, XLogP of 5.31, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(3,4-dimethoxyphenyl)-N-[(6-methyl-2-pyridinyl)sulfonyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide is sourced from PubChem (CID 138545759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).