N'-[2-(4-chlorophenyl)sulfanylacetyl]-2-ethoxypyridine-3-carbohydrazide

C16H16ClN3O3S — CID 4785569

IUPACN'-[2-(4-chlorophenyl)sulfanylacetyl]-2-ethoxypyridine-3-carbohydrazide
SMILESCCOc1ncccc1C(=O)NNC(=O)CSc1ccc(Cl)cc1
InChIInChI=1S/C16H16ClN3O3S/c1-2-23-16-13(4-3-9-18-16)15(22)20-19-14(21)10-24-12-7-5-11(17)6-8-12/h3-9H,2,10H2,1H3,(H,19,21)(H,20,22)
InChIKeyBCAROGLFAQDWGL-UHFFFAOYSA-N
MW365.84 g/mol
LogP2.69
Rot. Bonds6

About N'-[2-(4-chlorophenyl)sulfanylacetyl]-2-ethoxypyridine-3-carbohydrazide

N'-[2-(4-chlorophenyl)sulfanylacetyl]-2-ethoxypyridine-3-carbohydrazide (PubChem CID 4785569) has the molecular formula C16H16ClN3O3S and a molecular weight of 365.84 g/mol. Its IUPAC name is N'-[2-(4-chlorophenyl)sulfanylacetyl]-2-ethoxypyridine-3-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(4-chlorophenyl)sulfanylacetyl]-2-ethoxypyridine-3-carbohydrazide
PubChem CID4785569
Molecular FormulaC16H16ClN3O3S
Molecular Weight365.84 g/mol
Exact Mass365.06
IUPAC NameN'-[2-(4-chlorophenyl)sulfanylacetyl]-2-ethoxypyridine-3-carbohydrazide
SMILESCCOc1ncccc1C(=O)NNC(=O)CSc1ccc(Cl)cc1
InChIInChI=1S/C16H16ClN3O3S/c1-2-23-16-13(4-3-9-18-16)15(22)20-19-14(21)10-24-12-7-5-11(17)6-8-12/h3-9H,2,10H2,1H3,(H,19,21)(H,20,22)
InChIKeyBCAROGLFAQDWGL-UHFFFAOYSA-N
XLogP2.69
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.84
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-ethoxy-N-(3-phenylsulfanylpropyl)pyridine-3-carboxamide
CID 2517314
S-(4-chlorophenyl) 2-phenoxypyridine-3-carbothioate
CID 2797684
N-(2-chloro-5-methylsulfonylphenyl)-2-ethoxypyridine-3-carboxamide
CID 26185125
N-[(4-chlorophenyl)-methyl-oxo-lambda6-sulfanylidene]-2-phenoxypyridine-3-carboxamide
CID 2819900
4-chloro-2-(cyclopropylmethoxy)-N-[(3-fluoro-4-methylsulfanylphenyl)methyl]pyridine-3-carboxamide
CID 138646045
N-tert-butyl-N'-(5-chloro-2-fluorobenzoyl)-2-ethoxypyridine-3-carbohydrazide
CID 141375083
2-ethoxy-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]pyridine-3-carboxamide
CID 16623245
2-ethoxy-N'-[5-(4-fluorophenyl)thiophene-2-carbonyl]pyridine-3-carbohydrazide
CID 26120751
2-ethoxy-N-[3-(4-fluorophenyl)sulfanylpropyl]pyridine-3-carboxamide
CID 27802145
N'-(thiophene-2-carbonyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carbohydrazide
CID 31857793
N'-(5-ethyl-4-methylthiophene-2-carbonyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carbohydrazide
CID 31967694
2-(4-chlorophenyl)sulfanyl-N'-[2-(4-fluorophenoxy)propanoyl]pyridine-3-carbohydrazide
CID 43043405

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-chlorophenyl)sulfanylacetyl]-2-ethoxypyridine-3-carbohydrazide?
The IUPAC name of N'-[2-(4-chlorophenyl)sulfanylacetyl]-2-ethoxypyridine-3-carbohydrazide (CID 4785569) is N'-[2-(4-chlorophenyl)sulfanylacetyl]-2-ethoxypyridine-3-carbohydrazide.
What is the SMILES notation for N'-[2-(4-chlorophenyl)sulfanylacetyl]-2-ethoxypyridine-3-carbohydrazide?
The canonical SMILES for N'-[2-(4-chlorophenyl)sulfanylacetyl]-2-ethoxypyridine-3-carbohydrazide is CCOc1ncccc1C(=O)NNC(=O)CSc1ccc(Cl)cc1.
What is the InChIKey of N'-[2-(4-chlorophenyl)sulfanylacetyl]-2-ethoxypyridine-3-carbohydrazide?
The InChIKey is BCAROGLFAQDWGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O3S/c1-2-23-16-13(4-3-9-18-16)15(22)20-19-14(21)10-24-12-7-5-11(17)6-8-12/h3-9H,2,10H2,1H3,(H,19,21)(H,20,22).
What are the key properties of N'-[2-(4-chlorophenyl)sulfanylacetyl]-2-ethoxypyridine-3-carbohydrazide?
N'-[2-(4-chlorophenyl)sulfanylacetyl]-2-ethoxypyridine-3-carbohydrazide has a molecular weight of 365.84 g/mol, XLogP of 2.69, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-chlorophenyl)sulfanylacetyl]-2-ethoxypyridine-3-carbohydrazide is sourced from PubChem (CID 4785569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).