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6-(2,5-dimethoxyphenyl)-N-[(6-methyl-2-pyridinyl)sulfonyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide

C29H29N3O6S — CID 159977051

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC6-(2,5-dimethoxyphenyl)-N-[(6-methyl-2-pyridinyl)sulfonyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide
SMILESCOc1ccc(OC)c(-c2ccc(C(=O)NS(=O)(=O)c3cccc(C)n3)c(Oc3c(C)cc(C)cc3C)n2)c1
InChIInChI=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)11-12-24(31-29)23-16-21(36-5)10-13-25(23)37-6/h7-16H,1-6H3,(H,32,33)
InChIKeyOJPYHANUDSHARG-UHFFFAOYSA-N
MW547.63 g/mol
LogP5.31
Rot. Bonds8

About 6-(2,5-dimethoxyphenyl)-N-[(6-methyl-2-pyridinyl)sulfonyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide

6-(2,5-dimethoxyphenyl)-N-[(6-methyl-2-pyridinyl)sulfonyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide (PubChem CID 159977051) has the molecular formula C29H29N3O6S and a molecular weight of 547.63 g/mol. Its IUPAC name is 6-(2,5-dimethoxyphenyl)-N-[(6-methyl-2-pyridinyl)sulfonyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(2,5-dimethoxyphenyl)-N-[(6-methyl-2-pyridinyl)sulfonyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide
PubChem CID159977051
Molecular FormulaC29H29N3O6S
Molecular Weight547.63 g/mol
Exact Mass547.18
IUPAC Name6-(2,5-dimethoxyphenyl)-N-[(6-methyl-2-pyridinyl)sulfonyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide
SMILESCOc1ccc(OC)c(-c2ccc(C(=O)NS(=O)(=O)c3cccc(C)n3)c(Oc3c(C)cc(C)cc3C)n2)c1
InChIInChI=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)11-12-24(31-29)23-16-21(36-5)10-13-25(23)37-6/h7-16H,1-6H3,(H,32,33)
InChIKeyOJPYHANUDSHARG-UHFFFAOYSA-N
XLogP5.31
TPSA116.71 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500547.63
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-(2,5-dimethoxyphenyl)-N-[(6-methyl-2-pyridinyl)sulfonyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide?
The IUPAC name of 6-(2,5-dimethoxyphenyl)-N-[(6-methyl-2-pyridinyl)sulfonyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide (CID 159977051) is 6-(2,5-dimethoxyphenyl)-N-[(6-methyl-2-pyridinyl)sulfonyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide.
What is the SMILES notation for 6-(2,5-dimethoxyphenyl)-N-[(6-methyl-2-pyridinyl)sulfonyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide?
The canonical SMILES for 6-(2,5-dimethoxyphenyl)-N-[(6-methyl-2-pyridinyl)sulfonyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide is COc1ccc(OC)c(-c2ccc(C(=O)NS(=O)(=O)c3cccc(C)n3)c(Oc3c(C)cc(C)cc3C)n2)c1.
What is the InChIKey of 6-(2,5-dimethoxyphenyl)-N-[(6-methyl-2-pyridinyl)sulfonyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide?
The InChIKey is OJPYHANUDSHARG-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)11-12-24(31-29)23-16-21(36-5)10-13-25(23)37-6/h7-16H,1-6H3,(H,32,33).
What are the key properties of 6-(2,5-dimethoxyphenyl)-N-[(6-methyl-2-pyridinyl)sulfonyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide?
6-(2,5-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-(2,5-dimethoxyphenyl)-N-[(6-methyl-2-pyridinyl)sulfonyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide is sourced from PubChem (CID 159977051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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