N-(3-methoxypropyl)-2-[4-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]piperazin-1-yl]acetamide

C18H28N6O3 — CID 43061556

IUPACN-(3-methoxypropyl)-2-[4-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]piperazin-1-yl]acetamide
SMILESCOCCCNC(=O)CN1CCN(CCn2nc3ccccn3c2=O)CC1
InChIInChI=1S/C18H28N6O3/c1-27-14-4-6-19-17(25)15-22-10-8-21(9-11-22)12-13-24-18(26)23-7-3-2-5-16(23)20-24/h2-3,5,7H,4,6,8-15H2,1H3,(H,19,25)
InChIKeyLLZDLHLUUYFCDO-UHFFFAOYSA-N
MW376.46 g/mol
LogP-0.73
Rot. Bonds9

About N-(3-methoxypropyl)-2-[4-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]piperazin-1-yl]acetamide

N-(3-methoxypropyl)-2-[4-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]piperazin-1-yl]acetamide (PubChem CID 43061556) has the molecular formula C18H28N6O3 and a molecular weight of 376.46 g/mol. Its IUPAC name is N-(3-methoxypropyl)-2-[4-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-2-[4-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]piperazin-1-yl]acetamide
PubChem CID43061556
Molecular FormulaC18H28N6O3
Molecular Weight376.46 g/mol
Exact Mass376.22
IUPAC NameN-(3-methoxypropyl)-2-[4-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]piperazin-1-yl]acetamide
SMILESCOCCCNC(=O)CN1CCN(CCn2nc3ccccn3c2=O)CC1
InChIInChI=1S/C18H28N6O3/c1-27-14-4-6-19-17(25)15-22-10-8-21(9-11-22)12-13-24-18(26)23-7-3-2-5-16(23)20-24/h2-3,5,7H,4,6,8-15H2,1H3,(H,19,25)
InChIKeyLLZDLHLUUYFCDO-UHFFFAOYSA-N
XLogP-0.73
TPSA84.11 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 5-0.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze N-(3-methoxypropyl)-2-[4-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]piperazin-1-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-2-[4-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]piperazin-1-yl]acetamide?
The IUPAC name of N-(3-methoxypropyl)-2-[4-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]piperazin-1-yl]acetamide (CID 43061556) is N-(3-methoxypropyl)-2-[4-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-(3-methoxypropyl)-2-[4-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-(3-methoxypropyl)-2-[4-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]piperazin-1-yl]acetamide is COCCCNC(=O)CN1CCN(CCn2nc3ccccn3c2=O)CC1.
What is the InChIKey of N-(3-methoxypropyl)-2-[4-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]piperazin-1-yl]acetamide?
The InChIKey is LLZDLHLUUYFCDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N6O3/c1-27-14-4-6-19-17(25)15-22-10-8-21(9-11-22)12-13-24-18(26)23-7-3-2-5-16(23)20-24/h2-3,5,7H,4,6,8-15H2,1H3,(H,19,25).
What are the key properties of N-(3-methoxypropyl)-2-[4-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]piperazin-1-yl]acetamide?
N-(3-methoxypropyl)-2-[4-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]piperazin-1-yl]acetamide has a molecular weight of 376.46 g/mol, XLogP of -0.73, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-2-[4-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 43061556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).