3-phenoxy-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]propanamide

C18H20N4O2 — CID 91947680

IUPAC3-phenoxy-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]propanamide
SMILESO=C(CCOc1ccccc1)NCCCc1nnc2ccccn12
InChIInChI=1S/C18H20N4O2/c23-18(11-14-24-15-7-2-1-3-8-15)19-12-6-10-17-21-20-16-9-4-5-13-22(16)17/h1-5,7-9,13H,6,10-12,14H2,(H,19,23)
InChIKeyQLROUROERQBFHA-UHFFFAOYSA-N
MW324.38 g/mol
LogP2.25
Rot. Bonds8

About 3-phenoxy-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]propanamide

3-phenoxy-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]propanamide (PubChem CID 91947680) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is 3-phenoxy-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]propanamide.

Molecular Properties

Compound Name3-phenoxy-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]propanamide
PubChem CID91947680
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC Name3-phenoxy-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]propanamide
SMILESO=C(CCOc1ccccc1)NCCCc1nnc2ccccn12
InChIInChI=1S/C18H20N4O2/c23-18(11-14-24-15-7-2-1-3-8-15)19-12-6-10-17-21-20-16-9-4-5-13-22(16)17/h1-5,7-9,13H,6,10-12,14H2,(H,19,23)
InChIKeyQLROUROERQBFHA-UHFFFAOYSA-N
XLogP2.25
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(4-phenylphenoxy)-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]acetamide
CID 91947550
2-(4-propan-2-ylphenoxy)-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]acetamide
CID 91947721
4-(2-acetylhydrazinyl)-4-oxo-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]butanamide
CID 91947749
3-(4-fluorophenyl)-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]propanamide
CID 91947697
3-phenoxy-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]benzamide
CID 91947850
4-(2-ethoxyphenoxy)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]butanamide
CID 51208266
4-(4-chloro-3-methylphenoxy)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]butanamide
CID 7708775
2-thiophen-3-yl-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]acetamide
CID 131933799
3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]propanamide
CID 91947688
2-(4-ethylpiperazin-1-yl)-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]acetamide
CID 131926706
2-methyl-1-(3-phenoxypropyl)-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)guanidine;hydroiodide
CID 111015028
2-(4-methylsulfonylphenyl)-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]acetamide
CID 91769600

Frequently Asked Questions

What is the IUPAC name of 3-phenoxy-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]propanamide?
The IUPAC name of 3-phenoxy-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]propanamide (CID 91947680) is 3-phenoxy-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]propanamide.
What is the SMILES notation for 3-phenoxy-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]propanamide?
The canonical SMILES for 3-phenoxy-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]propanamide is O=C(CCOc1ccccc1)NCCCc1nnc2ccccn12.
What is the InChIKey of 3-phenoxy-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]propanamide?
The InChIKey is QLROUROERQBFHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2/c23-18(11-14-24-15-7-2-1-3-8-15)19-12-6-10-17-21-20-16-9-4-5-13-22(16)17/h1-5,7-9,13H,6,10-12,14H2,(H,19,23).
What are the key properties of 3-phenoxy-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]propanamide?
3-phenoxy-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]propanamide has a molecular weight of 324.38 g/mol, XLogP of 2.25, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenoxy-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]propanamide is sourced from PubChem (CID 91947680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).