2-(8-methoxy-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide

C18H20N4O3 — CID 150924716

IUPAC2-(8-methoxy-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide
SMILESCOc1cccn2c(=O)n(CC(=O)N[C@@H](C)c3ccc(C)cc3)nc12
InChIInChI=1S/C18H20N4O3/c1-12-6-8-14(9-7-12)13(2)19-16(23)11-22-18(24)21-10-4-5-15(25-3)17(21)20-22/h4-10,13H,11H2,1-3H3,(H,19,23)/t13-/m0/s1
InChIKeyLETXEVYKOCKAMK-ZDUSSCGKSA-N
MW340.38 g/mol
LogP1.69
Rot. Bonds5

About 2-(8-methoxy-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide

2-(8-methoxy-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide (PubChem CID 150924716) has the molecular formula C18H20N4O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is 2-(8-methoxy-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(8-methoxy-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide
PubChem CID150924716
Molecular FormulaC18H20N4O3
Molecular Weight340.38 g/mol
Exact Mass340.15
IUPAC Name2-(8-methoxy-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide
SMILESCOc1cccn2c(=O)n(CC(=O)N[C@@H](C)c3ccc(C)cc3)nc12
InChIInChI=1S/C18H20N4O3/c1-12-6-8-14(9-7-12)13(2)19-16(23)11-22-18(24)21-10-4-5-15(25-3)17(21)20-22/h4-10,13H,11H2,1-3H3,(H,19,23)/t13-/m0/s1
InChIKeyLETXEVYKOCKAMK-ZDUSSCGKSA-N
XLogP1.69
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[8-(2,2-difluoroethylamino)-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl]-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide
CID 147018093
2-(6-bromo-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide
CID 147048009
2-(6-methyl-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide
CID 147323186
2-(7-chloro-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide
CID 147641221
2-{3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyridin-2-yl}-N-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]acetamide
CID 147987797
2-(5-bromo-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide
CID 148659040
2-(8-amino-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide
CID 149618414
N-[(1S)-1-(4-methylphenyl)ethyl]-2-(3-oxo-[1,2,4]triazolo[4,3-c]pyrimidin-2-yl)acetamide
CID 149784975
2-(5,7-dimethyl-3-oxo-[1,2,4]triazolo[4,3-c]pyrimidin-2-yl)-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide
CID 150050373
tert-butyl N-[2-[2-[[(1S)-1-(4-methylphenyl)ethyl]amino]-2-oxoethyl]-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-8-yl]carbamate
CID 150944515
2-[8-(methylamino)-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl]-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide
CID 151533016
2-(6-methoxy-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide
CID 151570395

Frequently Asked Questions

What is the IUPAC name of 2-(8-methoxy-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide?
The IUPAC name of 2-(8-methoxy-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide (CID 150924716) is 2-(8-methoxy-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(8-methoxy-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide?
The canonical SMILES for 2-(8-methoxy-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide is COc1cccn2c(=O)n(CC(=O)N[C@@H](C)c3ccc(C)cc3)nc12.
What is the InChIKey of 2-(8-methoxy-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide?
The InChIKey is LETXEVYKOCKAMK-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H20N4O3/c1-12-6-8-14(9-7-12)13(2)19-16(23)11-22-18(24)21-10-4-5-15(25-3)17(21)20-22/h4-10,13H,11H2,1-3H3,(H,19,23)/t13-/m0/s1.
What are the key properties of 2-(8-methoxy-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide?
2-(8-methoxy-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide has a molecular weight of 340.38 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-methoxy-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide is sourced from PubChem (CID 150924716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).