1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-[2-(diethylamino)ethyl]piperidine-3-carboxamide

C18H27ClN6O — CID 53202982

About 1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-[2-(diethylamino)ethyl]piperidine-3-carboxamide

1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-[2-(diethylamino)ethyl]piperidine-3-carboxamide (PubChem CID 53202982) has the molecular formula C18H27ClN6O and a molecular weight of 378.91 g/mol. Its IUPAC name is 1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-[2-(diethylamino)ethyl]piperidine-3-carboxamide.

Molecular Properties

• Compound Name: 1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-[2-(diethylamino)ethyl]piperidine-3-carboxamide
• PubChem CID: 53202982
• Molecular Formula: C18H27ClN6O
• Molecular Weight: 378.91 g/mol
• Exact Mass: 378.19
• IUPAC Name: 1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-[2-(diethylamino)ethyl]piperidine-3-carboxamide
• SMILES: CCN(CC)CCNC(=O)C1CCCN(c2nnc3ccc(Cl)cn23)C1
• InChI: InChI=1S/C18H27ClN6O/c1-3-23(4-2)11-9-20-17(26)14-6-5-10-24(12-14)18-22-21-16-8-7-15(19)13-25(16)18/h7-8,13-14H,3-6,9-12H2,1-2H3,(H,20,26)
• InChIKey: SBIMGDJQWKEAJK-UHFFFAOYSA-N
• XLogP: 2.06
• TPSA: 65.77 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	378.91
LogP ≤ 5	2.06
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-[2-(diethylamino)ethyl]piperidine-3-carboxamide?

The IUPAC name of 1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-[2-(diethylamino)ethyl]piperidine-3-carboxamide (CID 53202982) is 1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-[2-(diethylamino)ethyl]piperidine-3-carboxamide.

What is the SMILES notation for 1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-[2-(diethylamino)ethyl]piperidine-3-carboxamide?

The canonical SMILES for 1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-[2-(diethylamino)ethyl]piperidine-3-carboxamide is CCN(CC)CCNC(=O)C1CCCN(c2nnc3ccc(Cl)cn23)C1.

What is the InChIKey of 1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-[2-(diethylamino)ethyl]piperidine-3-carboxamide?

The InChIKey is SBIMGDJQWKEAJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27ClN6O/c1-3-23(4-2)11-9-20-17(26)14-6-5-10-24(12-14)18-22-21-16-8-7-15(19)13-25(16)18/h7-8,13-14H,3-6,9-12H2,1-2H3,(H,20,26).

What are the key properties of 1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-[2-(diethylamino)ethyl]piperidine-3-carboxamide?

1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-[2-(diethylamino)ethyl]piperidine-3-carboxamide has a molecular weight of 378.91 g/mol, XLogP of 2.06, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-[2-(diethylamino)ethyl]piperidine-3-carboxamide is sourced from PubChem (CID 53202982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).