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

C24H29N5O2 — CID 131655580

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

3-(1-benzylpyrrolidin-3-yl)-N-(oxan-4-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (PubChem CID 131655580) has the molecular formula C24H29N5O2 and a molecular weight of 419.53 g/mol. Its IUPAC name is 3-(1-benzylpyrrolidin-3-yl)-N-(oxan-4-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.

Molecular Properties

• Compound Name: 3-(1-benzylpyrrolidin-3-yl)-N-(oxan-4-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
• PubChem CID: 131655580
• Molecular Formula: C24H29N5O2
• Molecular Weight: 419.53 g/mol
• Exact Mass: 419.23
• IUPAC Name: 3-(1-benzylpyrrolidin-3-yl)-N-(oxan-4-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
• SMILES: O=C(NCC1CCOCC1)c1ccc2nnc(C3CCN(Cc4ccccc4)C3)n2c1
• InChI: InChI=1S/C24H29N5O2/c30-24(25-14-18-9-12-31-13-10-18)21-6-7-22-26-27-23(29(22)17-21)20-8-11-28(16-20)15-19-4-2-1-3-5-19/h1-7,17-18,20H,8-16H2,(H,25,30)
• InChIKey: NOFOIVYWNKRBMZ-UHFFFAOYSA-N
• XLogP: 2.88
• TPSA: 71.76 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	419.53
LogP ≤ 5	2.88
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 3-(1-benzylpyrrolidin-3-yl)-N-(oxan-4-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (CID 131655580) is 3-(1-benzylpyrrolidin-3-yl)-N-(oxan-4-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.

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

The canonical SMILES for 3-(1-benzylpyrrolidin-3-yl)-N-(oxan-4-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is O=C(NCC1CCOCC1)c1ccc2nnc(C3CCN(Cc4ccccc4)C3)n2c1.

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

The InChIKey is NOFOIVYWNKRBMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O2/c30-24(25-14-18-9-12-31-13-10-18)21-6-7-22-26-27-23(29(22)17-21)20-8-11-28(16-20)15-19-4-2-1-3-5-19/h1-7,17-18,20H,8-16H2,(H,25,30).

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

3-(1-benzylpyrrolidin-3-yl)-N-(oxan-4-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide has a molecular weight of 419.53 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(1-benzylpyrrolidin-3-yl)-N-(oxan-4-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is sourced from PubChem (CID 131655580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).