N-(2,4-dichlorophenyl)-2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]acetamide

C19H19Cl2N5O — CID 78818080

About N-(2,4-dichlorophenyl)-2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]acetamide

N-(2,4-dichlorophenyl)-2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]acetamide (PubChem CID 78818080) has the molecular formula C19H19Cl2N5O and a molecular weight of 404.30 g/mol. Its IUPAC name is N-(2,4-dichlorophenyl)-2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]acetamide.

Molecular Properties

• Compound Name: N-(2,4-dichlorophenyl)-2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]acetamide
• PubChem CID: 78818080
• Molecular Formula: C19H19Cl2N5O
• Molecular Weight: 404.30 g/mol
• Exact Mass: 403.10
• IUPAC Name: N-(2,4-dichlorophenyl)-2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]acetamide
• SMILES: O=C(CN1CCC(c2nnc3ccccn23)CC1)Nc1ccc(Cl)cc1Cl
• InChI: InChI=1S/C19H19Cl2N5O/c20-14-4-5-16(15(21)11-14)22-18(27)12-25-9-6-13(7-10-25)19-24-23-17-3-1-2-8-26(17)19/h1-5,8,11,13H,6-7,9-10,12H2,(H,22,27)
• InChIKey: RGIYBHLGMKANGQ-UHFFFAOYSA-N
• XLogP: 3.85
• TPSA: 62.53 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	404.30
LogP ≤ 5	3.85
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dichlorophenyl)-2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]acetamide?

The IUPAC name of N-(2,4-dichlorophenyl)-2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]acetamide (CID 78818080) is N-(2,4-dichlorophenyl)-2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]acetamide.

What is the SMILES notation for N-(2,4-dichlorophenyl)-2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]acetamide?

The canonical SMILES for N-(2,4-dichlorophenyl)-2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]acetamide is O=C(CN1CCC(c2nnc3ccccn23)CC1)Nc1ccc(Cl)cc1Cl.

What is the InChIKey of N-(2,4-dichlorophenyl)-2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]acetamide?

The InChIKey is RGIYBHLGMKANGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl2N5O/c20-14-4-5-16(15(21)11-14)22-18(27)12-25-9-6-13(7-10-25)19-24-23-17-3-1-2-8-26(17)19/h1-5,8,11,13H,6-7,9-10,12H2,(H,22,27).

What are the key properties of N-(2,4-dichlorophenyl)-2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]acetamide?

N-(2,4-dichlorophenyl)-2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]acetamide has a molecular weight of 404.30 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2,4-dichlorophenyl)-2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]acetamide is sourced from PubChem (CID 78818080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).