N-[3-[5-(5-ethoxy-2-pyridinyl)-4-phenyl-1,2,4-triazol-3-yl]-1-bicyclo[1.1.1]pentanyl]pyridine-2-carboxamide

C26H24N6O2 — CID 146282494

About N-[3-[5-(5-ethoxy-2-pyridinyl)-4-phenyl-1,2,4-triazol-3-yl]-1-bicyclo[1.1.1]pentanyl]pyridine-2-carboxamide

N-[3-[5-(5-ethoxy-2-pyridinyl)-4-phenyl-1,2,4-triazol-3-yl]-1-bicyclo[1.1.1]pentanyl]pyridine-2-carboxamide (PubChem CID 146282494) has the molecular formula C26H24N6O2 and a molecular weight of 452.52 g/mol. Its IUPAC name is N-[3-[5-(5-ethoxy-2-pyridinyl)-4-phenyl-1,2,4-triazol-3-yl]-1-bicyclo[1.1.1]pentanyl]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[3-[5-(5-ethoxy-2-pyridinyl)-4-phenyl-1,2,4-triazol-3-yl]-1-bicyclo[1.1.1]pentanyl]pyridine-2-carboxamide
• PubChem CID: 146282494
• Molecular Formula: C26H24N6O2
• Molecular Weight: 452.52 g/mol
• Exact Mass: 452.20
• IUPAC Name: N-[3-[5-(5-ethoxy-2-pyridinyl)-4-phenyl-1,2,4-triazol-3-yl]-1-bicyclo[1.1.1]pentanyl]pyridine-2-carboxamide
• SMILES: CCOc1ccc(-c2nnc(C34CC(NC(=O)c5ccccn5)(C3)C4)n2-c2ccccc2)nc1
• InChI: InChI=1S/C26H24N6O2/c1-2-34-19-11-12-20(28-14-19)22-30-31-24(32(22)18-8-4-3-5-9-18)25-15-26(16-25,17-25)29-23(33)21-10-6-7-13-27-21/h3-14H,2,15-17H2,1H3,(H,29,33)
• InChIKey: XJISGSOHRXNZAY-UHFFFAOYSA-N
• XLogP: 3.73
• TPSA: 94.82 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	452.52
LogP ≤ 5	3.73
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-(5-ethoxy-2-pyridinyl)-4-phenyl-1,2,4-triazol-3-yl]-1-bicyclo[1.1.1]pentanyl]pyridine-2-carboxamide?

The IUPAC name of N-[3-[5-(5-ethoxy-2-pyridinyl)-4-phenyl-1,2,4-triazol-3-yl]-1-bicyclo[1.1.1]pentanyl]pyridine-2-carboxamide (CID 146282494) is N-[3-[5-(5-ethoxy-2-pyridinyl)-4-phenyl-1,2,4-triazol-3-yl]-1-bicyclo[1.1.1]pentanyl]pyridine-2-carboxamide.

What is the SMILES notation for N-[3-[5-(5-ethoxy-2-pyridinyl)-4-phenyl-1,2,4-triazol-3-yl]-1-bicyclo[1.1.1]pentanyl]pyridine-2-carboxamide?

The canonical SMILES for N-[3-[5-(5-ethoxy-2-pyridinyl)-4-phenyl-1,2,4-triazol-3-yl]-1-bicyclo[1.1.1]pentanyl]pyridine-2-carboxamide is CCOc1ccc(-c2nnc(C34CC(NC(=O)c5ccccn5)(C3)C4)n2-c2ccccc2)nc1.

What is the InChIKey of N-[3-[5-(5-ethoxy-2-pyridinyl)-4-phenyl-1,2,4-triazol-3-yl]-1-bicyclo[1.1.1]pentanyl]pyridine-2-carboxamide?

The InChIKey is XJISGSOHRXNZAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N6O2/c1-2-34-19-11-12-20(28-14-19)22-30-31-24(32(22)18-8-4-3-5-9-18)25-15-26(16-25,17-25)29-23(33)21-10-6-7-13-27-21/h3-14H,2,15-17H2,1H3,(H,29,33).

What are the key properties of N-[3-[5-(5-ethoxy-2-pyridinyl)-4-phenyl-1,2,4-triazol-3-yl]-1-bicyclo[1.1.1]pentanyl]pyridine-2-carboxamide?

N-[3-[5-(5-ethoxy-2-pyridinyl)-4-phenyl-1,2,4-triazol-3-yl]-1-bicyclo[1.1.1]pentanyl]pyridine-2-carboxamide has a molecular weight of 452.52 g/mol, XLogP of 3.73, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[5-(5-ethoxy-2-pyridinyl)-4-phenyl-1,2,4-triazol-3-yl]-1-bicyclo[1.1.1]pentanyl]pyridine-2-carboxamide is sourced from PubChem (CID 146282494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).