3-[8-[(5,6-dimethoxy-2-pyridinyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-N-methylbenzamide

C21H20N6O3 — CID 71074240

IUPAC3-[8-[(5,6-dimethoxy-2-pyridinyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-N-methylbenzamide
SMILESCNC(=O)c1cccc(-c2cc(Nc3ccc(OC)c(OC)n3)c3ncnn3c2)c1
InChIInChI=1S/C21H20N6O3/c1-22-20(28)14-6-4-5-13(9-14)15-10-16(19-23-12-24-27(19)11-15)25-18-8-7-17(29-2)21(26-18)30-3/h4-12H,1-3H3,(H,22,28)(H,25,26)
InChIKeyQMBVGDDXTZLYBD-UHFFFAOYSA-N
MW404.43 g/mol
LogP2.91
Rot. Bonds6

About 3-[8-[(5,6-dimethoxy-2-pyridinyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-N-methylbenzamide

3-[8-[(5,6-dimethoxy-2-pyridinyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-N-methylbenzamide (PubChem CID 71074240) has the molecular formula C21H20N6O3 and a molecular weight of 404.43 g/mol. Its IUPAC name is 3-[8-[(5,6-dimethoxy-2-pyridinyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-N-methylbenzamide.

Molecular Properties

Compound Name3-[8-[(5,6-dimethoxy-2-pyridinyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-N-methylbenzamide
PubChem CID71074240
Molecular FormulaC21H20N6O3
Molecular Weight404.43 g/mol
Exact Mass404.16
IUPAC Name3-[8-[(5,6-dimethoxy-2-pyridinyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-N-methylbenzamide
SMILESCNC(=O)c1cccc(-c2cc(Nc3ccc(OC)c(OC)n3)c3ncnn3c2)c1
InChIInChI=1S/C21H20N6O3/c1-22-20(28)14-6-4-5-13(9-14)15-10-16(19-23-12-24-27(19)11-15)25-18-8-7-17(29-2)21(26-18)30-3/h4-12H,1-3H3,(H,22,28)(H,25,26)
InChIKeyQMBVGDDXTZLYBD-UHFFFAOYSA-N
XLogP2.91
TPSA102.67 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.43
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[8-[(5,6-dimethoxy-2-pyridinyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-N-methylbenzamide?
The IUPAC name of 3-[8-[(5,6-dimethoxy-2-pyridinyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-N-methylbenzamide (CID 71074240) is 3-[8-[(5,6-dimethoxy-2-pyridinyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-N-methylbenzamide.
What is the SMILES notation for 3-[8-[(5,6-dimethoxy-2-pyridinyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-N-methylbenzamide?
The canonical SMILES for 3-[8-[(5,6-dimethoxy-2-pyridinyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-N-methylbenzamide is CNC(=O)c1cccc(-c2cc(Nc3ccc(OC)c(OC)n3)c3ncnn3c2)c1.
What is the InChIKey of 3-[8-[(5,6-dimethoxy-2-pyridinyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-N-methylbenzamide?
The InChIKey is QMBVGDDXTZLYBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O3/c1-22-20(28)14-6-4-5-13(9-14)15-10-16(19-23-12-24-27(19)11-15)25-18-8-7-17(29-2)21(26-18)30-3/h4-12H,1-3H3,(H,22,28)(H,25,26).
What are the key properties of 3-[8-[(5,6-dimethoxy-2-pyridinyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-N-methylbenzamide?
3-[8-[(5,6-dimethoxy-2-pyridinyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-N-methylbenzamide has a molecular weight of 404.43 g/mol, XLogP of 2.91, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[8-[(5,6-dimethoxy-2-pyridinyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-N-methylbenzamide is sourced from PubChem (CID 71074240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).