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

C27H30N4O5S — CID 158493044

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

2-(2,4-dimethylphenoxy)-6-(6-methoxy-5-methyl-3-pyridinyl)-N-[(6-methyl-2-pyridinyl)sulfonyl]pyridine-3-carboxamide;molecular hydrogen (PubChem CID 158493044) has the molecular formula C27H30N4O5S and a molecular weight of 522.63 g/mol. Its IUPAC name is 2-(2,4-dimethylphenoxy)-6-(6-methoxy-5-methyl-3-pyridinyl)-N-[(6-methyl-2-pyridinyl)sulfonyl]pyridine-3-carboxamide;molecular hydrogen.

Molecular Properties

• Compound Name: 2-(2,4-dimethylphenoxy)-6-(6-methoxy-5-methyl-3-pyridinyl)-N-[(6-methyl-2-pyridinyl)sulfonyl]pyridine-3-carboxamide;molecular hydrogen
• PubChem CID: 158493044
• Molecular Formula: C27H30N4O5S
• Molecular Weight: 522.63 g/mol
• Exact Mass: 522.19
• IUPAC Name: 2-(2,4-dimethylphenoxy)-6-(6-methoxy-5-methyl-3-pyridinyl)-N-[(6-methyl-2-pyridinyl)sulfonyl]pyridine-3-carboxamide;molecular hydrogen
• SMILES: COc1ncc(-c2ccc(C(=O)NS(=O)(=O)c3cccc(C)n3)c(Oc3ccc(C)cc3C)n2)cc1C.[H][H].[H][H]
• InChI: InChI=1S/C27H26N4O5S.2H2/c1-16-9-12-23(17(2)13-16)36-27-21(25(32)31-37(33,34)24-8-6-7-19(4)29-24)10-11-22(30-27)20-14-18(3)26(35-5)28-15-20;;/h6-15H,1-5H3,(H,31,32);2*1H
• InChIKey: HIXYQTRRFJFXTG-UHFFFAOYSA-N
• XLogP: 5.18
• TPSA: 120.37 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	522.63
LogP ≤ 5	5.18
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenoxy)-6-(6-methoxy-5-methyl-3-pyridinyl)-N-[(6-methyl-2-pyridinyl)sulfonyl]pyridine-3-carboxamide;molecular hydrogen?

The IUPAC name of 2-(2,4-dimethylphenoxy)-6-(6-methoxy-5-methyl-3-pyridinyl)-N-[(6-methyl-2-pyridinyl)sulfonyl]pyridine-3-carboxamide;molecular hydrogen (CID 158493044) is 2-(2,4-dimethylphenoxy)-6-(6-methoxy-5-methyl-3-pyridinyl)-N-[(6-methyl-2-pyridinyl)sulfonyl]pyridine-3-carboxamide;molecular hydrogen.

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

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

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

The InChIKey is HIXYQTRRFJFXTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N4O5S.2H2/c1-16-9-12-23(17(2)13-16)36-27-21(25(32)31-37(33,34)24-8-6-7-19(4)29-24)10-11-22(30-27)20-14-18(3)26(35-5)28-15-20;;/h6-15H,1-5H3,(H,31,32);2*1H.

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

2-(2,4-dimethylphenoxy)-6-(6-methoxy-5-methyl-3-pyridinyl)-N-[(6-methyl-2-pyridinyl)sulfonyl]pyridine-3-carboxamide;molecular hydrogen has a molecular weight of 522.63 g/mol, XLogP of 5.18, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,4-dimethylphenoxy)-6-(6-methoxy-5-methyl-3-pyridinyl)-N-[(6-methyl-2-pyridinyl)sulfonyl]pyridine-3-carboxamide;molecular hydrogen is sourced from PubChem (CID 158493044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).