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

C18H19ClN6O — CID 95115108

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

(3R)-1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide (PubChem CID 95115108) has the molecular formula C18H19ClN6O and a molecular weight of 370.84 g/mol. Its IUPAC name is (3R)-1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide.

Molecular Properties

• Compound Name: (3R)-1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
• PubChem CID: 95115108
• Molecular Formula: C18H19ClN6O
• Molecular Weight: 370.84 g/mol
• Exact Mass: 370.13
• IUPAC Name: (3R)-1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
• SMILES: O=C(NCc1cccnc1)[C@@H]1CCCN(c2nnc3ccc(Cl)cn23)C1
• InChI: InChI=1S/C18H19ClN6O/c19-15-5-6-16-22-23-18(25(16)12-15)24-8-2-4-14(11-24)17(26)21-10-13-3-1-7-20-9-13/h1,3,5-7,9,12,14H,2,4,8,10-11H2,(H,21,26)/t14-/m1/s1
• InChIKey: OSXOBUZWZWBOGF-CQSZACIVSA-N
• XLogP: 2.31
• TPSA: 75.42 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	370.84
LogP ≤ 5	2.31
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of (3R)-1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide (CID 95115108) is (3R)-1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide.

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

The canonical SMILES for (3R)-1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide is O=C(NCc1cccnc1)[C@@H]1CCCN(c2nnc3ccc(Cl)cn23)C1.

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

The InChIKey is OSXOBUZWZWBOGF-CQSZACIVSA-N. The full InChI is InChI=1S/C18H19ClN6O/c19-15-5-6-16-22-23-18(25(16)12-15)24-8-2-4-14(11-24)17(26)21-10-13-3-1-7-20-9-13/h1,3,5-7,9,12,14H,2,4,8,10-11H2,(H,21,26)/t14-/m1/s1.

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

(3R)-1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide has a molecular weight of 370.84 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide is sourced from PubChem (CID 95115108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).