3-(1-benzylpyrrolidin-3-yl)-N-cyclohexyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

C24H29N5O — CID 134068822

About 3-(1-benzylpyrrolidin-3-yl)-N-cyclohexyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

3-(1-benzylpyrrolidin-3-yl)-N-cyclohexyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (PubChem CID 134068822) has the molecular formula C24H29N5O and a molecular weight of 403.53 g/mol. Its IUPAC name is 3-(1-benzylpyrrolidin-3-yl)-N-cyclohexyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.

Molecular Properties

• Compound Name: 3-(1-benzylpyrrolidin-3-yl)-N-cyclohexyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
• PubChem CID: 134068822
• Molecular Formula: C24H29N5O
• Molecular Weight: 403.53 g/mol
• Exact Mass: 403.24
• IUPAC Name: 3-(1-benzylpyrrolidin-3-yl)-N-cyclohexyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
• SMILES: O=C(NC1CCCCC1)c1ccc2nnc(C3CCN(Cc4ccccc4)C3)n2c1
• InChI: InChI=1S/C24H29N5O/c30-24(25-21-9-5-2-6-10-21)20-11-12-22-26-27-23(29(22)17-20)19-13-14-28(16-19)15-18-7-3-1-4-8-18/h1,3-4,7-8,11-12,17,19,21H,2,5-6,9-10,13-16H2,(H,25,30)
• InChIKey: AUKBGDIAMTWASD-UHFFFAOYSA-N
• XLogP: 3.78
• TPSA: 62.53 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	403.53
LogP ≤ 5	3.78
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 3-(1-benzylpyrrolidin-3-yl)-N-cyclohexyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (CID 134068822) is 3-(1-benzylpyrrolidin-3-yl)-N-cyclohexyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.

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

The canonical SMILES for 3-(1-benzylpyrrolidin-3-yl)-N-cyclohexyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is O=C(NC1CCCCC1)c1ccc2nnc(C3CCN(Cc4ccccc4)C3)n2c1.

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

The InChIKey is AUKBGDIAMTWASD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O/c30-24(25-21-9-5-2-6-10-21)20-11-12-22-26-27-23(29(22)17-20)19-13-14-28(16-19)15-18-7-3-1-4-8-18/h1,3-4,7-8,11-12,17,19,21H,2,5-6,9-10,13-16H2,(H,25,30).

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

3-(1-benzylpyrrolidin-3-yl)-N-cyclohexyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide has a molecular weight of 403.53 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(1-benzylpyrrolidin-3-yl)-N-cyclohexyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is sourced from PubChem (CID 134068822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).