N-[5-[4-[2-(dipropylamino)ethyl]piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide

C23H36N6O — CID 70929386

About N-[5-[4-[2-(dipropylamino)ethyl]piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide

N-[5-[4-[2-(dipropylamino)ethyl]piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide (PubChem CID 70929386) has the molecular formula C23H36N6O and a molecular weight of 412.58 g/mol. Its IUPAC name is N-[5-[4-[2-(dipropylamino)ethyl]piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide.

Molecular Properties

• Compound Name: N-[5-[4-[2-(dipropylamino)ethyl]piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
• PubChem CID: 70929386
• Molecular Formula: C23H36N6O
• Molecular Weight: 412.58 g/mol
• Exact Mass: 412.30
• IUPAC Name: N-[5-[4-[2-(dipropylamino)ethyl]piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
• SMILES: CCCN(CCC)CCC1CCN(c2cccc3nc(NC(=O)C4CC4)nn23)CC1
• InChI: InChI=1S/C23H36N6O/c1-3-13-27(14-4-2)15-10-18-11-16-28(17-12-18)21-7-5-6-20-24-23(26-29(20)21)25-22(30)19-8-9-19/h5-7,18-19H,3-4,8-17H2,1-2H3,(H,25,26,30)
• InChIKey: UPHIXFFSJQQRAW-UHFFFAOYSA-N
• XLogP: 3.81
• TPSA: 65.77 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	412.58
LogP ≤ 5	3.81
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[5-[4-[2-(dipropylamino)ethyl]piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?

The IUPAC name of N-[5-[4-[2-(dipropylamino)ethyl]piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide (CID 70929386) is N-[5-[4-[2-(dipropylamino)ethyl]piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide.

What is the SMILES notation for N-[5-[4-[2-(dipropylamino)ethyl]piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?

The canonical SMILES for N-[5-[4-[2-(dipropylamino)ethyl]piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide is CCCN(CCC)CCC1CCN(c2cccc3nc(NC(=O)C4CC4)nn23)CC1.

What is the InChIKey of N-[5-[4-[2-(dipropylamino)ethyl]piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?

The InChIKey is UPHIXFFSJQQRAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36N6O/c1-3-13-27(14-4-2)15-10-18-11-16-28(17-12-18)21-7-5-6-20-24-23(26-29(20)21)25-22(30)19-8-9-19/h5-7,18-19H,3-4,8-17H2,1-2H3,(H,25,26,30).

What are the key properties of N-[5-[4-[2-(dipropylamino)ethyl]piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?

N-[5-[4-[2-(dipropylamino)ethyl]piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide has a molecular weight of 412.58 g/mol, XLogP of 3.81, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[4-[2-(dipropylamino)ethyl]piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 70929386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).