1-(1,3-benzodioxol-5-yl)-4-methyl-2-oxo-N-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethyl)pyridine-3-carboxamide

C21H17N5O4 — CID 172661264

About 1-(1,3-benzodioxol-5-yl)-4-methyl-2-oxo-N-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethyl)pyridine-3-carboxamide

1-(1,3-benzodioxol-5-yl)-4-methyl-2-oxo-N-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethyl)pyridine-3-carboxamide (PubChem CID 172661264) has the molecular formula C21H17N5O4 and a molecular weight of 403.40 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-5-yl)-4-methyl-2-oxo-N-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 1-(1,3-benzodioxol-5-yl)-4-methyl-2-oxo-N-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethyl)pyridine-3-carboxamide
• PubChem CID: 172661264
• Molecular Formula: C21H17N5O4
• Molecular Weight: 403.40 g/mol
• Exact Mass: 403.13
• IUPAC Name: 1-(1,3-benzodioxol-5-yl)-4-methyl-2-oxo-N-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethyl)pyridine-3-carboxamide
• SMILES: Cc1ccn(-c2ccc3c(c2)OCO3)c(=O)c1C(=O)NCc1cccc2ncnn12
• InChI: InChI=1S/C21H17N5O4/c1-13-7-8-25(14-5-6-16-17(9-14)30-12-29-16)21(28)19(13)20(27)22-10-15-3-2-4-18-23-11-24-26(15)18/h2-9,11H,10,12H2,1H3,(H,22,27)
• InChIKey: ZDRAIIJDJUZFEM-UHFFFAOYSA-N
• XLogP: 1.85
• TPSA: 99.75 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	403.40
LogP ≤ 5	1.85
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxol-5-yl)-4-methyl-2-oxo-N-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethyl)pyridine-3-carboxamide?

The IUPAC name of 1-(1,3-benzodioxol-5-yl)-4-methyl-2-oxo-N-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethyl)pyridine-3-carboxamide (CID 172661264) is 1-(1,3-benzodioxol-5-yl)-4-methyl-2-oxo-N-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethyl)pyridine-3-carboxamide.

What is the SMILES notation for 1-(1,3-benzodioxol-5-yl)-4-methyl-2-oxo-N-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethyl)pyridine-3-carboxamide?

The canonical SMILES for 1-(1,3-benzodioxol-5-yl)-4-methyl-2-oxo-N-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethyl)pyridine-3-carboxamide is Cc1ccn(-c2ccc3c(c2)OCO3)c(=O)c1C(=O)NCc1cccc2ncnn12.

What is the InChIKey of 1-(1,3-benzodioxol-5-yl)-4-methyl-2-oxo-N-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethyl)pyridine-3-carboxamide?

The InChIKey is ZDRAIIJDJUZFEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N5O4/c1-13-7-8-25(14-5-6-16-17(9-14)30-12-29-16)21(28)19(13)20(27)22-10-15-3-2-4-18-23-11-24-26(15)18/h2-9,11H,10,12H2,1H3,(H,22,27).

What are the key properties of 1-(1,3-benzodioxol-5-yl)-4-methyl-2-oxo-N-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethyl)pyridine-3-carboxamide?

1-(1,3-benzodioxol-5-yl)-4-methyl-2-oxo-N-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethyl)pyridine-3-carboxamide has a molecular weight of 403.40 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(1,3-benzodioxol-5-yl)-4-methyl-2-oxo-N-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 172661264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).