N-(5-chloro-2-methylphenyl)-2-[3-oxo-8-(3-phenyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-2-yl]acetamide

C23H17ClN6O3 — CID 50841395

IUPACN-(5-chloro-2-methylphenyl)-2-[3-oxo-8-(3-phenyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-2-yl]acetamide
SMILESCc1ccc(Cl)cc1NC(=O)Cn1nc2c(-c3nc(-c4ccccc4)no3)cccn2c1=O
InChIInChI=1S/C23H17ClN6O3/c1-14-9-10-16(24)12-18(14)25-19(31)13-30-23(32)29-11-5-8-17(21(29)27-30)22-26-20(28-33-22)15-6-3-2-4-7-15/h2-12H,13H2,1H3,(H,25,31)
InChIKeyXZUZVJDDJOACSN-UHFFFAOYSA-N
MW460.88 g/mol
LogP3.81
Rot. Bonds5

About N-(5-chloro-2-methylphenyl)-2-[3-oxo-8-(3-phenyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-2-yl]acetamide

N-(5-chloro-2-methylphenyl)-2-[3-oxo-8-(3-phenyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-2-yl]acetamide (PubChem CID 50841395) has the molecular formula C23H17ClN6O3 and a molecular weight of 460.88 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-2-[3-oxo-8-(3-phenyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-2-yl]acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-2-[3-oxo-8-(3-phenyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-2-yl]acetamide
PubChem CID50841395
Molecular FormulaC23H17ClN6O3
Molecular Weight460.88 g/mol
Exact Mass460.11
IUPAC NameN-(5-chloro-2-methylphenyl)-2-[3-oxo-8-(3-phenyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-2-yl]acetamide
SMILESCc1ccc(Cl)cc1NC(=O)Cn1nc2c(-c3nc(-c4ccccc4)no3)cccn2c1=O
InChIInChI=1S/C23H17ClN6O3/c1-14-9-10-16(24)12-18(14)25-19(31)13-30-23(32)29-11-5-8-17(21(29)27-30)22-26-20(28-33-22)15-6-3-2-4-7-15/h2-12H,13H2,1H3,(H,25,31)
InChIKeyXZUZVJDDJOACSN-UHFFFAOYSA-N
XLogP3.81
TPSA107.32 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.88
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-(5-chloro-2-methylphenyl)-2-[3-oxo-8-(3-phenyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-2-yl]acetamide with MolForge

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Related Compounds

N-(2-ethylphenyl)-2-[8-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl]acetamide
CID 50841415
N-[(4-methoxyphenyl)methyl]-2-[3-oxo-8-(3-phenyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-2-yl]acetamide
CID 50841096
2-[8-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl]-N-[(2R)-4-phenylbutan-2-yl]acetamide
CID 95181867
N-(5-chloro-2-methylphenyl)-2-[11-(4-methylphenyl)-5-oxo-3,4,6,9,10-pentazatricyclo[7.3.0.02,6]dodeca-1(12),2,7,10-tetraen-4-yl]acetamide
CID 56685282
2-[8-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 94683245
N-(5-chloro-2-methylphenyl)-2-[5-methyl-4-oxo-6-(3-phenyl-1,2,4-oxadiazol-5-yl)thieno[2,3-d]pyrimidin-3-yl]acetamide
CID 50786475
N-(2-chloro-4-methylphenyl)-2-[2-oxo-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-1-pyridinyl]acetamide
CID 30849110
N-(5-chloro-2-methylphenyl)-2-[4-(dimethylamino)-1-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl]acetamide
CID 50787806
2-[2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]-8-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 94683251
2-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]-8-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 94683252
2-[5-amino-4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-3-methylsulfanylpyrazol-1-yl]-N-(5-chloro-2-methylphenyl)acetamide
CID 27536895
2-[2-oxo-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-1-pyridinyl]-N-(2,4,6-trimethylphenyl)acetamide
CID 30849101

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-2-[3-oxo-8-(3-phenyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-2-yl]acetamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-2-[3-oxo-8-(3-phenyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-2-yl]acetamide (CID 50841395) is N-(5-chloro-2-methylphenyl)-2-[3-oxo-8-(3-phenyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-2-yl]acetamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-2-[3-oxo-8-(3-phenyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-2-yl]acetamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-2-[3-oxo-8-(3-phenyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-2-yl]acetamide is Cc1ccc(Cl)cc1NC(=O)Cn1nc2c(-c3nc(-c4ccccc4)no3)cccn2c1=O.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-2-[3-oxo-8-(3-phenyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-2-yl]acetamide?
The InChIKey is XZUZVJDDJOACSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClN6O3/c1-14-9-10-16(24)12-18(14)25-19(31)13-30-23(32)29-11-5-8-17(21(29)27-30)22-26-20(28-33-22)15-6-3-2-4-7-15/h2-12H,13H2,1H3,(H,25,31).
What are the key properties of N-(5-chloro-2-methylphenyl)-2-[3-oxo-8-(3-phenyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-2-yl]acetamide?
N-(5-chloro-2-methylphenyl)-2-[3-oxo-8-(3-phenyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-2-yl]acetamide has a molecular weight of 460.88 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-2-[3-oxo-8-(3-phenyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-2-yl]acetamide is sourced from PubChem (CID 50841395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).