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

C22H20N4O2 — CID 91947850

IUPAC3-phenoxy-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]benzamide
SMILESO=C(NCCCc1nnc2ccccn12)c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C22H20N4O2/c27-22(17-8-6-11-19(16-17)28-18-9-2-1-3-10-18)23-14-7-13-21-25-24-20-12-4-5-15-26(20)21/h1-6,8-12,15-16H,7,13-14H2,(H,23,27)
InChIKeyFFMKUYQRDHFMTA-UHFFFAOYSA-N
MW372.43 g/mol
LogP3.88
Rot. Bonds7

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

3-phenoxy-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]benzamide (PubChem CID 91947850) has the molecular formula C22H20N4O2 and a molecular weight of 372.43 g/mol. Its IUPAC name is 3-phenoxy-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]benzamide.

Molecular Properties

Compound Name3-phenoxy-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]benzamide
PubChem CID91947850
Molecular FormulaC22H20N4O2
Molecular Weight372.43 g/mol
Exact Mass372.16
IUPAC Name3-phenoxy-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]benzamide
SMILESO=C(NCCCc1nnc2ccccn12)c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C22H20N4O2/c27-22(17-8-6-11-19(16-17)28-18-9-2-1-3-10-18)23-14-7-13-21-25-24-20-12-4-5-15-26(20)21/h1-6,8-12,15-16H,7,13-14H2,(H,23,27)
InChIKeyFFMKUYQRDHFMTA-UHFFFAOYSA-N
XLogP3.88
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-phenoxy-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]benzamide with MolForge

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

Launch Full Analysis

Related Compounds

3-phenoxy-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide
CID 17448491
3-phenylmethoxy-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide
CID 78810194
3-(tetrazol-1-yl)-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]benzamide
CID 91822812
1-methyl-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]indole-6-carboxamide
CID 71702523
3,4,5-trimethoxy-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]benzamide
CID 45496104
2,6-dichloro-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]benzamide
CID 91947806
3-phenoxy-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]propanamide
CID 91947680
2-amino-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-1,3-benzothiazole-5-carboxamide
CID 155501287
5-bromo-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]furan-2-carboxamide
CID 91947819
5-methoxy-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]furan-2-carboxamide
CID 91793630
2-(4-phenylphenoxy)-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]acetamide
CID 91947550
2-benzoyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide
CID 17444903

Frequently Asked Questions

What is the IUPAC name of 3-phenoxy-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]benzamide?
The IUPAC name of 3-phenoxy-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]benzamide (CID 91947850) is 3-phenoxy-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]benzamide.
What is the SMILES notation for 3-phenoxy-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]benzamide?
The canonical SMILES for 3-phenoxy-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]benzamide is O=C(NCCCc1nnc2ccccn12)c1cccc(Oc2ccccc2)c1.
What is the InChIKey of 3-phenoxy-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]benzamide?
The InChIKey is FFMKUYQRDHFMTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O2/c27-22(17-8-6-11-19(16-17)28-18-9-2-1-3-10-18)23-14-7-13-21-25-24-20-12-4-5-15-26(20)21/h1-6,8-12,15-16H,7,13-14H2,(H,23,27).
What are the key properties of 3-phenoxy-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]benzamide?
3-phenoxy-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]benzamide has a molecular weight of 372.43 g/mol, XLogP of 3.88, 7 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]benzamide is sourced from PubChem (CID 91947850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).