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

C16H15ClN4O3 — CID 134007085

IUPACN-[2-(4-chlorophenoxy)ethyl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide
SMILESO=C(Cn1nc2ccccn2c1=O)NCCOc1ccc(Cl)cc1
InChIInChI=1S/C16H15ClN4O3/c17-12-4-6-13(7-5-12)24-10-8-18-15(22)11-21-16(23)20-9-2-1-3-14(20)19-21/h1-7,9H,8,10-11H2,(H,18,22)
InChIKeyCWUXVZSXQJKFJQ-UHFFFAOYSA-N
MW346.77 g/mol
LogP1.34
Rot. Bonds6

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

N-[2-(4-chlorophenoxy)ethyl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide (PubChem CID 134007085) has the molecular formula C16H15ClN4O3 and a molecular weight of 346.77 g/mol. Its IUPAC name is N-[2-(4-chlorophenoxy)ethyl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenoxy)ethyl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide
PubChem CID134007085
Molecular FormulaC16H15ClN4O3
Molecular Weight346.77 g/mol
Exact Mass346.08
IUPAC NameN-[2-(4-chlorophenoxy)ethyl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide
SMILESO=C(Cn1nc2ccccn2c1=O)NCCOc1ccc(Cl)cc1
InChIInChI=1S/C16H15ClN4O3/c17-12-4-6-13(7-5-12)24-10-8-18-15(22)11-21-16(23)20-9-2-1-3-14(20)19-21/h1-7,9H,8,10-11H2,(H,18,22)
InChIKeyCWUXVZSXQJKFJQ-UHFFFAOYSA-N
XLogP1.34
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.77
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[2-(4-chlorophenoxy)ethyl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-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

Related Compounds

N-[2-(4-chlorophenoxy)ethyl]-2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetamide
CID 46665438
N-[2-(1H-imidazol-2-yl)ethyl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide
CID 115649624
N-(2-methylprop-2-enyl)-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide
CID 114618575
N-(4-chlorophenyl)-2-[[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetyl]amino]benzamide
CID 78852045
N-[2-(4-chlorophenoxy)ethyl]-4-phenoxybutanamide
CID 94868069
2-hydroxy-3-[[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetyl]amino]propanamide
CID 107261312
2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
CID 60983316
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide
CID 78849558
N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide
CID 86920638
N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propanamide
CID 100906527
2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-(2-pyrrolidin-3-ylethyl)acetamide;hydrochloride
CID 119537846
2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-[(1S)-1-(4-propan-2-yloxyphenyl)ethyl]acetamide
CID 153065968

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenoxy)ethyl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide?
The IUPAC name of N-[2-(4-chlorophenoxy)ethyl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide (CID 134007085) is N-[2-(4-chlorophenoxy)ethyl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide.
What is the SMILES notation for N-[2-(4-chlorophenoxy)ethyl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide?
The canonical SMILES for N-[2-(4-chlorophenoxy)ethyl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide is O=C(Cn1nc2ccccn2c1=O)NCCOc1ccc(Cl)cc1.
What is the InChIKey of N-[2-(4-chlorophenoxy)ethyl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide?
The InChIKey is CWUXVZSXQJKFJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN4O3/c17-12-4-6-13(7-5-12)24-10-8-18-15(22)11-21-16(23)20-9-2-1-3-14(20)19-21/h1-7,9H,8,10-11H2,(H,18,22).
What are the key properties of N-[2-(4-chlorophenoxy)ethyl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide?
N-[2-(4-chlorophenoxy)ethyl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide has a molecular weight of 346.77 g/mol, XLogP of 1.34, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenoxy)ethyl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide is sourced from PubChem (CID 134007085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).