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

C20H21ClN4O2 — CID 134800728

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

N-[2-(4-chlorophenyl)ethyl]-3-(oxan-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (PubChem CID 134800728) has the molecular formula C20H21ClN4O2 and a molecular weight of 384.87 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-3-(oxan-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.

Molecular Properties

• Compound Name: N-[2-(4-chlorophenyl)ethyl]-3-(oxan-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
• PubChem CID: 134800728
• Molecular Formula: C20H21ClN4O2
• Molecular Weight: 384.87 g/mol
• Exact Mass: 384.14
• IUPAC Name: N-[2-(4-chlorophenyl)ethyl]-3-(oxan-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
• SMILES: O=C(NCCc1ccc(Cl)cc1)c1ccc2nnc(C3CCOCC3)n2c1
• InChI: InChI=1S/C20H21ClN4O2/c21-17-4-1-14(2-5-17)7-10-22-20(26)16-3-6-18-23-24-19(25(18)13-16)15-8-11-27-12-9-15/h1-6,13,15H,7-12H2,(H,22,26)
• InChIKey: WAGXGPHDZNCWJL-UHFFFAOYSA-N
• XLogP: 3.25
• TPSA: 68.52 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	384.87
LogP ≤ 5	3.25
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-3-(oxan-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (CID 134800728) is N-[2-(4-chlorophenyl)ethyl]-3-(oxan-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.

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

The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-3-(oxan-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is O=C(NCCc1ccc(Cl)cc1)c1ccc2nnc(C3CCOCC3)n2c1.

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

The InChIKey is WAGXGPHDZNCWJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN4O2/c21-17-4-1-14(2-5-17)7-10-22-20(26)16-3-6-18-23-24-19(25(18)13-16)15-8-11-27-12-9-15/h1-6,13,15H,7-12H2,(H,22,26).

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

N-[2-(4-chlorophenyl)ethyl]-3-(oxan-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide has a molecular weight of 384.87 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(4-chlorophenyl)ethyl]-3-(oxan-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is sourced from PubChem (CID 134800728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).