N-[2-(4-methoxyphenyl)ethyl]-3-(oxan-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

C21H24N4O3 — CID 134803137

About N-[2-(4-methoxyphenyl)ethyl]-3-(oxan-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

N-[2-(4-methoxyphenyl)ethyl]-3-(oxan-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (PubChem CID 134803137) has the molecular formula C21H24N4O3 and a molecular weight of 380.45 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)ethyl]-3-(oxan-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.

Molecular Properties

• Compound Name: N-[2-(4-methoxyphenyl)ethyl]-3-(oxan-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
• PubChem CID: 134803137
• Molecular Formula: C21H24N4O3
• Molecular Weight: 380.45 g/mol
• Exact Mass: 380.18
• IUPAC Name: N-[2-(4-methoxyphenyl)ethyl]-3-(oxan-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
• SMILES: COc1ccc(CCNC(=O)c2ccc3nnc(C4CCOCC4)n3c2)cc1
• InChI: InChI=1S/C21H24N4O3/c1-27-18-5-2-15(3-6-18)8-11-22-21(26)17-4-7-19-23-24-20(25(19)14-17)16-9-12-28-13-10-16/h2-7,14,16H,8-13H2,1H3,(H,22,26)
• InChIKey: FKDOZEVQMYGKIW-UHFFFAOYSA-N
• XLogP: 2.60
• TPSA: 77.75 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	380.45
LogP ≤ 5	2.60
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-3-(oxan-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?

The IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-3-(oxan-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (CID 134803137) is N-[2-(4-methoxyphenyl)ethyl]-3-(oxan-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.

What is the SMILES notation for N-[2-(4-methoxyphenyl)ethyl]-3-(oxan-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?

The canonical SMILES for N-[2-(4-methoxyphenyl)ethyl]-3-(oxan-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is COc1ccc(CCNC(=O)c2ccc3nnc(C4CCOCC4)n3c2)cc1.

What is the InChIKey of N-[2-(4-methoxyphenyl)ethyl]-3-(oxan-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?

The InChIKey is FKDOZEVQMYGKIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3/c1-27-18-5-2-15(3-6-18)8-11-22-21(26)17-4-7-19-23-24-20(25(19)14-17)16-9-12-28-13-10-16/h2-7,14,16H,8-13H2,1H3,(H,22,26).

What are the key properties of N-[2-(4-methoxyphenyl)ethyl]-3-(oxan-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?

N-[2-(4-methoxyphenyl)ethyl]-3-(oxan-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide has a molecular weight of 380.45 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(4-methoxyphenyl)ethyl]-3-(oxan-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is sourced from PubChem (CID 134803137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).