[3-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]-[5-methyl-2-(triazol-2-yl)-3-pyridinyl]methanone

C19H19ClN6O2 — CID 134503138

About [3-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]-[5-methyl-2-(triazol-2-yl)-3-pyridinyl]methanone

[3-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]-[5-methyl-2-(triazol-2-yl)-3-pyridinyl]methanone (PubChem CID 134503138) has the molecular formula C19H19ClN6O2 and a molecular weight of 398.85 g/mol. Its IUPAC name is [3-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]-[5-methyl-2-(triazol-2-yl)-3-pyridinyl]methanone.

Molecular Properties

• Compound Name: [3-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]-[5-methyl-2-(triazol-2-yl)-3-pyridinyl]methanone
• PubChem CID: 134503138
• Molecular Formula: C19H19ClN6O2
• Molecular Weight: 398.85 g/mol
• Exact Mass: 398.13
• IUPAC Name: [3-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]-[5-methyl-2-(triazol-2-yl)-3-pyridinyl]methanone
• SMILES: Cc1cnc(-n2nccn2)c(C(=O)N2CCCC(Oc3ccc(Cl)cn3)C2)c1
• InChI: InChI=1S/C19H19ClN6O2/c1-13-9-16(18(22-10-13)26-23-6-7-24-26)19(27)25-8-2-3-15(12-25)28-17-5-4-14(20)11-21-17/h4-7,9-11,15H,2-3,8,12H2,1H3
• InChIKey: WKKWIVRYGUBAHM-UHFFFAOYSA-N
• XLogP: 2.70
• TPSA: 86.03 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	398.85
LogP ≤ 5	2.70
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [3-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]-[5-methyl-2-(triazol-2-yl)-3-pyridinyl]methanone?

The IUPAC name of [3-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]-[5-methyl-2-(triazol-2-yl)-3-pyridinyl]methanone (CID 134503138) is [3-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]-[5-methyl-2-(triazol-2-yl)-3-pyridinyl]methanone.

What is the SMILES notation for [3-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]-[5-methyl-2-(triazol-2-yl)-3-pyridinyl]methanone?

The canonical SMILES for [3-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]-[5-methyl-2-(triazol-2-yl)-3-pyridinyl]methanone is Cc1cnc(-n2nccn2)c(C(=O)N2CCCC(Oc3ccc(Cl)cn3)C2)c1.

What is the InChIKey of [3-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]-[5-methyl-2-(triazol-2-yl)-3-pyridinyl]methanone?

The InChIKey is WKKWIVRYGUBAHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN6O2/c1-13-9-16(18(22-10-13)26-23-6-7-24-26)19(27)25-8-2-3-15(12-25)28-17-5-4-14(20)11-21-17/h4-7,9-11,15H,2-3,8,12H2,1H3.

What are the key properties of [3-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]-[5-methyl-2-(triazol-2-yl)-3-pyridinyl]methanone?

[3-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]-[5-methyl-2-(triazol-2-yl)-3-pyridinyl]methanone has a molecular weight of 398.85 g/mol, XLogP of 2.70, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [3-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]-[5-methyl-2-(triazol-2-yl)-3-pyridinyl]methanone is sourced from PubChem (CID 134503138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).