5-benzyl-N-[4-(2,3-dihydro-1H-inden-4-yl)-2-pyridinyl]-1H-1,2,4-triazole-3-carboxamide

C24H21N5O — CID 154658737

About 5-benzyl-N-[4-(2,3-dihydro-1H-inden-4-yl)-2-pyridinyl]-1H-1,2,4-triazole-3-carboxamide

5-benzyl-N-[4-(2,3-dihydro-1H-inden-4-yl)-2-pyridinyl]-1H-1,2,4-triazole-3-carboxamide (PubChem CID 154658737) has the molecular formula C24H21N5O and a molecular weight of 395.47 g/mol. Its IUPAC name is 5-benzyl-N-[4-(2,3-dihydro-1H-inden-4-yl)-2-pyridinyl]-1H-1,2,4-triazole-3-carboxamide.

Molecular Properties

• Compound Name: 5-benzyl-N-[4-(2,3-dihydro-1H-inden-4-yl)-2-pyridinyl]-1H-1,2,4-triazole-3-carboxamide
• PubChem CID: 154658737
• Molecular Formula: C24H21N5O
• Molecular Weight: 395.47 g/mol
• Exact Mass: 395.17
• IUPAC Name: 5-benzyl-N-[4-(2,3-dihydro-1H-inden-4-yl)-2-pyridinyl]-1H-1,2,4-triazole-3-carboxamide
• SMILES: O=C(Nc1cc(-c2cccc3c2CCC3)ccn1)c1n[nH]c(Cc2ccccc2)n1
• InChI: InChI=1S/C24H21N5O/c30-24(23-26-22(28-29-23)14-16-6-2-1-3-7-16)27-21-15-18(12-13-25-21)20-11-5-9-17-8-4-10-19(17)20/h1-3,5-7,9,11-13,15H,4,8,10,14H2,(H,25,27,30)(H,26,28,29)
• InChIKey: MTDVCZGSBZRDRC-UHFFFAOYSA-N
• XLogP: 4.20
• TPSA: 83.56 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	395.47
LogP ≤ 5	4.20
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 5-benzyl-N-[4-(2,3-dihydro-1H-inden-4-yl)-2-pyridinyl]-1H-1,2,4-triazole-3-carboxamide (CID 154658737) is 5-benzyl-N-[4-(2,3-dihydro-1H-inden-4-yl)-2-pyridinyl]-1H-1,2,4-triazole-3-carboxamide.

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

The canonical SMILES for 5-benzyl-N-[4-(2,3-dihydro-1H-inden-4-yl)-2-pyridinyl]-1H-1,2,4-triazole-3-carboxamide is O=C(Nc1cc(-c2cccc3c2CCC3)ccn1)c1n[nH]c(Cc2ccccc2)n1.

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

The InChIKey is MTDVCZGSBZRDRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5O/c30-24(23-26-22(28-29-23)14-16-6-2-1-3-7-16)27-21-15-18(12-13-25-21)20-11-5-9-17-8-4-10-19(17)20/h1-3,5-7,9,11-13,15H,4,8,10,14H2,(H,25,27,30)(H,26,28,29).

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

5-benzyl-N-[4-(2,3-dihydro-1H-inden-4-yl)-2-pyridinyl]-1H-1,2,4-triazole-3-carboxamide has a molecular weight of 395.47 g/mol, XLogP of 4.20, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-benzyl-N-[4-(2,3-dihydro-1H-inden-4-yl)-2-pyridinyl]-1H-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 154658737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).