N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide

C18H20N4O3 — CID 166204329

IUPACN-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide
SMILESCc1cc(O)c(C(C)C)cc1NC(=O)Cn1nc2ccccn2c1=O
InChIInChI=1S/C18H20N4O3/c1-11(2)13-9-14(12(3)8-15(13)23)19-17(24)10-22-18(25)21-7-5-4-6-16(21)20-22/h4-9,11,23H,10H2,1-3H3,(H,19,24)
InChIKeyNSLNWUQCLFGIDS-UHFFFAOYSA-N
MW340.38 g/mol
LogP2.27
Rot. Bonds4

About N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide

N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide (PubChem CID 166204329) has the molecular formula C18H20N4O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide.

Molecular Properties

Compound NameN-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide
PubChem CID166204329
Molecular FormulaC18H20N4O3
Molecular Weight340.38 g/mol
Exact Mass340.15
IUPAC NameN-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide
SMILESCc1cc(O)c(C(C)C)cc1NC(=O)Cn1nc2ccccn2c1=O
InChIInChI=1S/C18H20N4O3/c1-11(2)13-9-14(12(3)8-15(13)23)19-17(24)10-22-18(25)21-7-5-4-6-16(21)20-22/h4-9,11,23H,10H2,1-3H3,(H,19,24)
InChIKeyNSLNWUQCLFGIDS-UHFFFAOYSA-N
XLogP2.27
TPSA88.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-pentan-2-ylacetamide
CID 115577809
3-methyl-4-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propanoylamino]benzamide
CID 75420349
N-(2-methylpropoxy)-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide
CID 115410231
N-[1-(furan-2-yl)ethyl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide
CID 134007075
2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)acetamide
CID 19523069
N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)propanamide
CID 2223120
N-[3-(hydroxymethyl)phenyl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide
CID 110885067
2-[3-cyclopropyl-5-(difluoromethyl)pyrazol-1-yl]-N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)acetamide
CID 19530209
2-(3,4-dimethyl-5-oxo-1,2,4-triazol-1-yl)-N-(2-propan-2-ylimidazo[1,2-a]pyridin-3-yl)acetamide
CID 166256892
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-methylprop-2-enyl)-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide
CID 114618575
N-[2-ethoxy-4-(4-propylpiperazin-1-yl)phenyl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide
CID 99791243

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide?
The IUPAC name of N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide (CID 166204329) is N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide.
What is the SMILES notation for N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide?
The canonical SMILES for N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide is Cc1cc(O)c(C(C)C)cc1NC(=O)Cn1nc2ccccn2c1=O.
What is the InChIKey of N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide?
The InChIKey is NSLNWUQCLFGIDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3/c1-11(2)13-9-14(12(3)8-15(13)23)19-17(24)10-22-18(25)21-7-5-4-6-16(21)20-22/h4-9,11,23H,10H2,1-3H3,(H,19,24).
What are the key properties of N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide?
N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide has a molecular weight of 340.38 g/mol, XLogP of 2.27, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide is sourced from PubChem (CID 166204329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).