5-benzyl-N-[4-[2-(2-hydroxyethoxy)phenyl]-2-pyridinyl]-1H-1,2,4-triazole-3-carboxamide

C23H21N5O3 — CID 154658593

About 5-benzyl-N-[4-[2-(2-hydroxyethoxy)phenyl]-2-pyridinyl]-1H-1,2,4-triazole-3-carboxamide

5-benzyl-N-[4-[2-(2-hydroxyethoxy)phenyl]-2-pyridinyl]-1H-1,2,4-triazole-3-carboxamide (PubChem CID 154658593) has the molecular formula C23H21N5O3 and a molecular weight of 415.45 g/mol. Its IUPAC name is 5-benzyl-N-[4-[2-(2-hydroxyethoxy)phenyl]-2-pyridinyl]-1H-1,2,4-triazole-3-carboxamide.

Molecular Properties

• Compound Name: 5-benzyl-N-[4-[2-(2-hydroxyethoxy)phenyl]-2-pyridinyl]-1H-1,2,4-triazole-3-carboxamide
• PubChem CID: 154658593
• Molecular Formula: C23H21N5O3
• Molecular Weight: 415.45 g/mol
• Exact Mass: 415.16
• IUPAC Name: 5-benzyl-N-[4-[2-(2-hydroxyethoxy)phenyl]-2-pyridinyl]-1H-1,2,4-triazole-3-carboxamide
• SMILES: O=C(Nc1cc(-c2ccccc2OCCO)ccn1)c1n[nH]c(Cc2ccccc2)n1
• InChI: InChI=1S/C23H21N5O3/c29-12-13-31-19-9-5-4-8-18(19)17-10-11-24-20(15-17)26-23(30)22-25-21(27-28-22)14-16-6-2-1-3-7-16/h1-11,15,29H,12-14H2,(H,24,26,30)(H,25,27,28)
• InChIKey: AVDCGDWBYAHFIH-UHFFFAOYSA-N
• XLogP: 3.08
• TPSA: 113.02 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	415.45
LogP ≤ 5	3.08
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-N-[4-[2-(2-hydroxyethoxy)phenyl]-2-pyridinyl]-1H-1,2,4-triazole-3-carboxamide?

The IUPAC name of 5-benzyl-N-[4-[2-(2-hydroxyethoxy)phenyl]-2-pyridinyl]-1H-1,2,4-triazole-3-carboxamide (CID 154658593) is 5-benzyl-N-[4-[2-(2-hydroxyethoxy)phenyl]-2-pyridinyl]-1H-1,2,4-triazole-3-carboxamide.

What is the SMILES notation for 5-benzyl-N-[4-[2-(2-hydroxyethoxy)phenyl]-2-pyridinyl]-1H-1,2,4-triazole-3-carboxamide?

The canonical SMILES for 5-benzyl-N-[4-[2-(2-hydroxyethoxy)phenyl]-2-pyridinyl]-1H-1,2,4-triazole-3-carboxamide is O=C(Nc1cc(-c2ccccc2OCCO)ccn1)c1n[nH]c(Cc2ccccc2)n1.

What is the InChIKey of 5-benzyl-N-[4-[2-(2-hydroxyethoxy)phenyl]-2-pyridinyl]-1H-1,2,4-triazole-3-carboxamide?

The InChIKey is AVDCGDWBYAHFIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O3/c29-12-13-31-19-9-5-4-8-18(19)17-10-11-24-20(15-17)26-23(30)22-25-21(27-28-22)14-16-6-2-1-3-7-16/h1-11,15,29H,12-14H2,(H,24,26,30)(H,25,27,28).

What are the key properties of 5-benzyl-N-[4-[2-(2-hydroxyethoxy)phenyl]-2-pyridinyl]-1H-1,2,4-triazole-3-carboxamide?

5-benzyl-N-[4-[2-(2-hydroxyethoxy)phenyl]-2-pyridinyl]-1H-1,2,4-triazole-3-carboxamide has a molecular weight of 415.45 g/mol, XLogP of 3.08, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-benzyl-N-[4-[2-(2-hydroxyethoxy)phenyl]-2-pyridinyl]-1H-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 154658593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).