N-ethyl-N-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]-3-propyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide

C22H26N6O — CID 58074753

About N-ethyl-N-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]-3-propyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide

N-ethyl-N-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]-3-propyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide (PubChem CID 58074753) has the molecular formula C22H26N6O and a molecular weight of 390.49 g/mol. Its IUPAC name is N-ethyl-N-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]-3-propyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide.

Molecular Properties

• Compound Name: N-ethyl-N-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]-3-propyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
• PubChem CID: 58074753
• Molecular Formula: C22H26N6O
• Molecular Weight: 390.49 g/mol
• Exact Mass: 390.22
• IUPAC Name: N-ethyl-N-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]-3-propyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
• SMILES: CCCc1nnc2c(C(=O)N(CC)CCc3nc4ccc(C)cc4[nH]3)cccn12
• InChI: InChI=1S/C22H26N6O/c1-4-7-20-25-26-21-16(8-6-12-28(20)21)22(29)27(5-2)13-11-19-23-17-10-9-15(3)14-18(17)24-19/h6,8-10,12,14H,4-5,7,11,13H2,1-3H3,(H,23,24)
• InChIKey: WWHYHLCNYXOWDD-UHFFFAOYSA-N
• XLogP: 3.57
• TPSA: 79.18 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	390.49
LogP ≤ 5	3.57
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]-3-propyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide?

The IUPAC name of N-ethyl-N-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]-3-propyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide (CID 58074753) is N-ethyl-N-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]-3-propyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide.

What is the SMILES notation for N-ethyl-N-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]-3-propyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide?

The canonical SMILES for N-ethyl-N-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]-3-propyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide is CCCc1nnc2c(C(=O)N(CC)CCc3nc4ccc(C)cc4[nH]3)cccn12.

What is the InChIKey of N-ethyl-N-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]-3-propyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide?

The InChIKey is WWHYHLCNYXOWDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O/c1-4-7-20-25-26-21-16(8-6-12-28(20)21)22(29)27(5-2)13-11-19-23-17-10-9-15(3)14-18(17)24-19/h6,8-10,12,14H,4-5,7,11,13H2,1-3H3,(H,23,24).

What are the key properties of N-ethyl-N-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]-3-propyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide?

N-ethyl-N-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]-3-propyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide has a molecular weight of 390.49 g/mol, XLogP of 3.57, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-ethyl-N-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]-3-propyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide is sourced from PubChem (CID 58074753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).