3,4-dimethoxy-N-[2-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]benzamide

C24H24N4O6 — CID 155553192

IUPAC3,4-dimethoxy-N-[2-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccc3nc(-c4cc(OC)c(OC)c(OC)c4)nn3c2)cc1OC
InChIInChI=1S/C24H24N4O6/c1-30-17-8-6-14(10-18(17)31-2)24(29)25-16-7-9-21-26-23(27-28(21)13-16)15-11-19(32-3)22(34-5)20(12-15)33-4/h6-13H,1-5H3,(H,25,29)
InChIKeyDPLAASBQMSTGGS-UHFFFAOYSA-N
MW464.48 g/mol
LogP3.69
Rot. Bonds8

About 3,4-dimethoxy-N-[2-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]benzamide

3,4-dimethoxy-N-[2-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]benzamide (PubChem CID 155553192) has the molecular formula C24H24N4O6 and a molecular weight of 464.48 g/mol. Its IUPAC name is 3,4-dimethoxy-N-[2-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]benzamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-[2-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]benzamide
PubChem CID155553192
Molecular FormulaC24H24N4O6
Molecular Weight464.48 g/mol
Exact Mass464.17
IUPAC Name3,4-dimethoxy-N-[2-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccc3nc(-c4cc(OC)c(OC)c(OC)c4)nn3c2)cc1OC
InChIInChI=1S/C24H24N4O6/c1-30-17-8-6-14(10-18(17)31-2)24(29)25-16-7-9-21-26-23(27-28(21)13-16)15-11-19(32-3)22(34-5)20(12-15)33-4/h6-13H,1-5H3,(H,25,29)
InChIKeyDPLAASBQMSTGGS-UHFFFAOYSA-N
XLogP3.69
TPSA105.44 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.48
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-[2-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]benzamide?
The IUPAC name of 3,4-dimethoxy-N-[2-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]benzamide (CID 155553192) is 3,4-dimethoxy-N-[2-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]benzamide.
What is the SMILES notation for 3,4-dimethoxy-N-[2-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]benzamide?
The canonical SMILES for 3,4-dimethoxy-N-[2-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]benzamide is COc1ccc(C(=O)Nc2ccc3nc(-c4cc(OC)c(OC)c(OC)c4)nn3c2)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-[2-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]benzamide?
The InChIKey is DPLAASBQMSTGGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O6/c1-30-17-8-6-14(10-18(17)31-2)24(29)25-16-7-9-21-26-23(27-28(21)13-16)15-11-19(32-3)22(34-5)20(12-15)33-4/h6-13H,1-5H3,(H,25,29).
What are the key properties of 3,4-dimethoxy-N-[2-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]benzamide?
3,4-dimethoxy-N-[2-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]benzamide has a molecular weight of 464.48 g/mol, XLogP of 3.69, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-[2-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]benzamide is sourced from PubChem (CID 155553192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).