2-methyl-N'-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanoyl]imidazo[1,2-a]pyridine-3-carbohydrazide

C21H20N6O3 — CID 24541624

IUPAC2-methyl-N'-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanoyl]imidazo[1,2-a]pyridine-3-carbohydrazide
SMILESCc1ccc(-c2noc(CCC(=O)NNC(=O)c3c(C)nc4ccccn34)n2)cc1
InChIInChI=1S/C21H20N6O3/c1-13-6-8-15(9-7-13)20-23-18(30-26-20)11-10-17(28)24-25-21(29)19-14(2)22-16-5-3-4-12-27(16)19/h3-9,12H,10-11H2,1-2H3,(H,24,28)(H,25,29)
InChIKeyWWGNZJGCNXZLOL-UHFFFAOYSA-N
MW404.43 g/mol
LogP2.39
Rot. Bonds5

About 2-methyl-N'-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanoyl]imidazo[1,2-a]pyridine-3-carbohydrazide

2-methyl-N'-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanoyl]imidazo[1,2-a]pyridine-3-carbohydrazide (PubChem CID 24541624) has the molecular formula C21H20N6O3 and a molecular weight of 404.43 g/mol. Its IUPAC name is 2-methyl-N'-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanoyl]imidazo[1,2-a]pyridine-3-carbohydrazide.

Molecular Properties

Compound Name2-methyl-N'-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanoyl]imidazo[1,2-a]pyridine-3-carbohydrazide
PubChem CID24541624
Molecular FormulaC21H20N6O3
Molecular Weight404.43 g/mol
Exact Mass404.16
IUPAC Name2-methyl-N'-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanoyl]imidazo[1,2-a]pyridine-3-carbohydrazide
SMILESCc1ccc(-c2noc(CCC(=O)NNC(=O)c3c(C)nc4ccccn34)n2)cc1
InChIInChI=1S/C21H20N6O3/c1-13-6-8-15(9-7-13)20-23-18(30-26-20)11-10-17(28)24-25-21(29)19-14(2)22-16-5-3-4-12-27(16)19/h3-9,12H,10-11H2,1-2H3,(H,24,28)(H,25,29)
InChIKeyWWGNZJGCNXZLOL-UHFFFAOYSA-N
XLogP2.39
TPSA114.42 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.43
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N'-(3-methylsulfanylpropanoyl)imidazo[1,2-a]pyridine-3-carbohydrazide
CID 24644397
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3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-phenylpropanamide
CID 3826214
N'-[2-(2,6-dimethylphenoxy)acetyl]-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanehydrazide
CID 9087609
N-(4-methylphenyl)-3-[3-(4-phenylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 100762262
N'-[3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoyl]-2-methylimidazo[1,2-a]pyridine-3-carbohydrazide
CID 8929308
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1-[(2-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]-3-(4-methylphenyl)thiourea
CID 10088570
N-[2-[di(propan-2-yl)amino]ethyl]-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 18160853
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CID 2797349
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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N'-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanoyl]imidazo[1,2-a]pyridine-3-carbohydrazide?
The IUPAC name of 2-methyl-N'-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanoyl]imidazo[1,2-a]pyridine-3-carbohydrazide (CID 24541624) is 2-methyl-N'-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanoyl]imidazo[1,2-a]pyridine-3-carbohydrazide.
What is the SMILES notation for 2-methyl-N'-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanoyl]imidazo[1,2-a]pyridine-3-carbohydrazide?
The canonical SMILES for 2-methyl-N'-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanoyl]imidazo[1,2-a]pyridine-3-carbohydrazide is Cc1ccc(-c2noc(CCC(=O)NNC(=O)c3c(C)nc4ccccn34)n2)cc1.
What is the InChIKey of 2-methyl-N'-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanoyl]imidazo[1,2-a]pyridine-3-carbohydrazide?
The InChIKey is WWGNZJGCNXZLOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O3/c1-13-6-8-15(9-7-13)20-23-18(30-26-20)11-10-17(28)24-25-21(29)19-14(2)22-16-5-3-4-12-27(16)19/h3-9,12H,10-11H2,1-2H3,(H,24,28)(H,25,29).
What are the key properties of 2-methyl-N'-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanoyl]imidazo[1,2-a]pyridine-3-carbohydrazide?
2-methyl-N'-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanoyl]imidazo[1,2-a]pyridine-3-carbohydrazide has a molecular weight of 404.43 g/mol, XLogP of 2.39, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N'-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanoyl]imidazo[1,2-a]pyridine-3-carbohydrazide is sourced from PubChem (CID 24541624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).