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

C23H22N4O5 — CID 155566281

IUPAC3-methoxy-N-[2-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]benzamide
SMILESCOc1cccc(C(=O)Nc2ccc3nc(-c4cc(OC)c(OC)c(OC)c4)nn3c2)c1
InChIInChI=1S/C23H22N4O5/c1-29-17-7-5-6-14(10-17)23(28)24-16-8-9-20-25-22(26-27(20)13-16)15-11-18(30-2)21(32-4)19(12-15)31-3/h5-13H,1-4H3,(H,24,28)
InChIKeyFQLCVKWNHMAHIT-UHFFFAOYSA-N
MW434.45 g/mol
LogP3.68
Rot. Bonds7

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

3-methoxy-N-[2-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]benzamide (PubChem CID 155566281) has the molecular formula C23H22N4O5 and a molecular weight of 434.45 g/mol. Its IUPAC name is 3-methoxy-N-[2-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]benzamide.

Molecular Properties

Compound Name3-methoxy-N-[2-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]benzamide
PubChem CID155566281
Molecular FormulaC23H22N4O5
Molecular Weight434.45 g/mol
Exact Mass434.16
IUPAC Name3-methoxy-N-[2-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]benzamide
SMILESCOc1cccc(C(=O)Nc2ccc3nc(-c4cc(OC)c(OC)c(OC)c4)nn3c2)c1
InChIInChI=1S/C23H22N4O5/c1-29-17-7-5-6-14(10-17)23(28)24-16-8-9-20-25-22(26-27(20)13-16)15-11-18(30-2)21(32-4)19(12-15)31-3/h5-13H,1-4H3,(H,24,28)
InChIKeyFQLCVKWNHMAHIT-UHFFFAOYSA-N
XLogP3.68
TPSA96.21 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.45
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[2-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]benzamide?
The IUPAC name of 3-methoxy-N-[2-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]benzamide (CID 155566281) is 3-methoxy-N-[2-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]benzamide.
What is the SMILES notation for 3-methoxy-N-[2-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]benzamide?
The canonical SMILES for 3-methoxy-N-[2-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]benzamide is COc1cccc(C(=O)Nc2ccc3nc(-c4cc(OC)c(OC)c(OC)c4)nn3c2)c1.
What is the InChIKey of 3-methoxy-N-[2-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]benzamide?
The InChIKey is FQLCVKWNHMAHIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O5/c1-29-17-7-5-6-14(10-17)23(28)24-16-8-9-20-25-22(26-27(20)13-16)15-11-18(30-2)21(32-4)19(12-15)31-3/h5-13H,1-4H3,(H,24,28).
What are the key properties of 3-methoxy-N-[2-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]benzamide?
3-methoxy-N-[2-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]benzamide has a molecular weight of 434.45 g/mol, XLogP of 3.68, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[2-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]benzamide is sourced from PubChem (CID 155566281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).