2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N'-[2-(1H-indol-3-yl)acetyl]pyridine-3-carbohydrazide

C22H21N5O3S — CID 24644217

IUPAC2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N'-[2-(1H-indol-3-yl)acetyl]pyridine-3-carbohydrazide
SMILESCc1noc(C)c1CSc1ncccc1C(=O)NNC(=O)Cc1c[nH]c2ccccc12
InChIInChI=1S/C22H21N5O3S/c1-13-18(14(2)30-27-13)12-31-22-17(7-5-9-23-22)21(29)26-25-20(28)10-15-11-24-19-8-4-3-6-16(15)19/h3-9,11,24H,10,12H2,1-2H3,(H,25,28)(H,26,29)
InChIKeyZNBOYKMLUBINHA-UHFFFAOYSA-N
MW435.51 g/mol
LogP3.46
Rot. Bonds6

About 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N'-[2-(1H-indol-3-yl)acetyl]pyridine-3-carbohydrazide

2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N'-[2-(1H-indol-3-yl)acetyl]pyridine-3-carbohydrazide (PubChem CID 24644217) has the molecular formula C22H21N5O3S and a molecular weight of 435.51 g/mol. Its IUPAC name is 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N'-[2-(1H-indol-3-yl)acetyl]pyridine-3-carbohydrazide.

Molecular Properties

Compound Name2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N'-[2-(1H-indol-3-yl)acetyl]pyridine-3-carbohydrazide
PubChem CID24644217
Molecular FormulaC22H21N5O3S
Molecular Weight435.51 g/mol
Exact Mass435.14
IUPAC Name2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N'-[2-(1H-indol-3-yl)acetyl]pyridine-3-carbohydrazide
SMILESCc1noc(C)c1CSc1ncccc1C(=O)NNC(=O)Cc1c[nH]c2ccccc12
InChIInChI=1S/C22H21N5O3S/c1-13-18(14(2)30-27-13)12-31-22-17(7-5-9-23-22)21(29)26-25-20(28)10-15-11-24-19-8-4-3-6-16(15)19/h3-9,11,24H,10,12H2,1-2H3,(H,25,28)(H,26,29)
InChIKeyZNBOYKMLUBINHA-UHFFFAOYSA-N
XLogP3.46
TPSA112.91 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.51
LogP ≤ 53.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N'-(pyridine-3-carbonyl)pyridine-3-carbohydrazide
CID 46529148
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N'-[2-(2-phenylphenoxy)acetyl]pyridine-3-carbohydrazide
CID 34659089
N'-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carbonyl]-1H-indole-3-carbohydrazide
CID 37346068
N'-[2-(1H-indol-3-yl)acetyl]-2-methylbenzohydrazide
CID 39972640
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(5-methyl-2-pyridinyl)pyridine-3-carboxamide
CID 25475060
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
CID 39768680
N-(2,3-dichlorophenyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]pyridine-3-carboxamide
CID 55374437
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[1-(4-propan-2-ylphenyl)ethyl]pyridine-3-carboxamide
CID 46546742
ethyl 4-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]pyridine-3-carbonyl]amino]benzoate
CID 18194394
N'-[2-(1H-indol-3-yl)acetyl]-2-phenoxypyridine-3-carbohydrazide
CID 31800805
N'-[2-(1H-indol-3-yl)acetyl]-2-(phenoxymethyl)benzohydrazide
CID 24517687
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[4-(2,2-dimethylpropanoylamino)phenyl]pyridine-3-carboxamide
CID 24644198

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N'-[2-(1H-indol-3-yl)acetyl]pyridine-3-carbohydrazide?
The IUPAC name of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N'-[2-(1H-indol-3-yl)acetyl]pyridine-3-carbohydrazide (CID 24644217) is 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N'-[2-(1H-indol-3-yl)acetyl]pyridine-3-carbohydrazide.
What is the SMILES notation for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N'-[2-(1H-indol-3-yl)acetyl]pyridine-3-carbohydrazide?
The canonical SMILES for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N'-[2-(1H-indol-3-yl)acetyl]pyridine-3-carbohydrazide is Cc1noc(C)c1CSc1ncccc1C(=O)NNC(=O)Cc1c[nH]c2ccccc12.
What is the InChIKey of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N'-[2-(1H-indol-3-yl)acetyl]pyridine-3-carbohydrazide?
The InChIKey is ZNBOYKMLUBINHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O3S/c1-13-18(14(2)30-27-13)12-31-22-17(7-5-9-23-22)21(29)26-25-20(28)10-15-11-24-19-8-4-3-6-16(15)19/h3-9,11,24H,10,12H2,1-2H3,(H,25,28)(H,26,29).
What are the key properties of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N'-[2-(1H-indol-3-yl)acetyl]pyridine-3-carbohydrazide?
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N'-[2-(1H-indol-3-yl)acetyl]pyridine-3-carbohydrazide has a molecular weight of 435.51 g/mol, XLogP of 3.46, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N'-[2-(1H-indol-3-yl)acetyl]pyridine-3-carbohydrazide is sourced from PubChem (CID 24644217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).