2-[(2-chlorophenyl)methoxy]-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]acetamide

C18H23ClN4O3 — CID 55859744

About 2-[(2-chlorophenyl)methoxy]-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]acetamide

2-[(2-chlorophenyl)methoxy]-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]acetamide (PubChem CID 55859744) has the molecular formula C18H23ClN4O3 and a molecular weight of 378.86 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methoxy]-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]acetamide.

Molecular Properties

• Compound Name: 2-[(2-chlorophenyl)methoxy]-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]acetamide
• PubChem CID: 55859744
• Molecular Formula: C18H23ClN4O3
• Molecular Weight: 378.86 g/mol
• Exact Mass: 378.15
• IUPAC Name: 2-[(2-chlorophenyl)methoxy]-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]acetamide
• SMILES: O=C(COCc1ccccc1Cl)NCCCn1nc2n(c1=O)CCCC2
• InChI: InChI=1S/C18H23ClN4O3/c19-15-7-2-1-6-14(15)12-26-13-17(24)20-9-5-11-23-18(25)22-10-4-3-8-16(22)21-23/h1-2,6-7H,3-5,8-13H2,(H,20,24)
• InChIKey: GLASWNWYOSAHRV-UHFFFAOYSA-N
• XLogP: 1.76
• TPSA: 78.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	378.86
LogP ≤ 5	1.76
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methoxy]-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]acetamide?

The IUPAC name of 2-[(2-chlorophenyl)methoxy]-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]acetamide (CID 55859744) is 2-[(2-chlorophenyl)methoxy]-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]acetamide.

What is the SMILES notation for 2-[(2-chlorophenyl)methoxy]-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]acetamide?

The canonical SMILES for 2-[(2-chlorophenyl)methoxy]-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]acetamide is O=C(COCc1ccccc1Cl)NCCCn1nc2n(c1=O)CCCC2.

What is the InChIKey of 2-[(2-chlorophenyl)methoxy]-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]acetamide?

The InChIKey is GLASWNWYOSAHRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN4O3/c19-15-7-2-1-6-14(15)12-26-13-17(24)20-9-5-11-23-18(25)22-10-4-3-8-16(22)21-23/h1-2,6-7H,3-5,8-13H2,(H,20,24).

What are the key properties of 2-[(2-chlorophenyl)methoxy]-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]acetamide?

2-[(2-chlorophenyl)methoxy]-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]acetamide has a molecular weight of 378.86 g/mol, XLogP of 1.76, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(2-chlorophenyl)methoxy]-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]acetamide is sourced from PubChem (CID 55859744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).