N'-[2-(2,5-dimethylphenyl)sulfanylacetyl]pyridine-3-carbohydrazide

C16H17N3O2S — CID 26641197

IUPACN'-[2-(2,5-dimethylphenyl)sulfanylacetyl]pyridine-3-carbohydrazide
SMILESCc1ccc(C)c(SCC(=O)NNC(=O)c2cccnc2)c1
InChIInChI=1S/C16H17N3O2S/c1-11-5-6-12(2)14(8-11)22-10-15(20)18-19-16(21)13-4-3-7-17-9-13/h3-9H,10H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyGLNWFVYIEARBQC-UHFFFAOYSA-N
MW315.40 g/mol
LogP2.25
Rot. Bonds4

About N'-[2-(2,5-dimethylphenyl)sulfanylacetyl]pyridine-3-carbohydrazide

N'-[2-(2,5-dimethylphenyl)sulfanylacetyl]pyridine-3-carbohydrazide (PubChem CID 26641197) has the molecular formula C16H17N3O2S and a molecular weight of 315.40 g/mol. Its IUPAC name is N'-[2-(2,5-dimethylphenyl)sulfanylacetyl]pyridine-3-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(2,5-dimethylphenyl)sulfanylacetyl]pyridine-3-carbohydrazide
PubChem CID26641197
Molecular FormulaC16H17N3O2S
Molecular Weight315.40 g/mol
Exact Mass315.10
IUPAC NameN'-[2-(2,5-dimethylphenyl)sulfanylacetyl]pyridine-3-carbohydrazide
SMILESCc1ccc(C)c(SCC(=O)NNC(=O)c2cccnc2)c1
InChIInChI=1S/C16H17N3O2S/c1-11-5-6-12(2)14(8-11)22-10-15(20)18-19-16(21)13-4-3-7-17-9-13/h3-9H,10H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyGLNWFVYIEARBQC-UHFFFAOYSA-N
XLogP2.25
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]pyridine-3-carbohydrazide
CID 39754867
N'-[2-(2,5-dimethylphenyl)sulfanylacetyl]-4-ethoxybenzohydrazide
CID 9492725
N'-[2-(4-methylphenoxy)acetyl]pyridine-3-carbohydrazide
CID 839627
N'-[2-(2-methylphenyl)acetyl]pyridine-3-carbohydrazide
CID 35152193
4-bromo-N'-[2-(2,5-dimethylphenyl)sulfanylacetyl]-1H-pyrrole-2-carbohydrazide
CID 9255783
N'-[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]-2-(2,5-dimethylphenyl)sulfanylacetohydrazide
CID 9471446
N'-[2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]pyridine-3-carbohydrazide
CID 18162266
N-[2-(2,4-dimethylanilino)-2-oxoethyl]pyridine-3-carboxamide
CID 110705466
2-methyl-N-[2-oxo-2-[2-(pyridine-3-carbonyl)hydrazinyl]ethyl]benzamide
CID 51163103
2-(2,5-dimethylphenyl)sulfanyl-N-(2-hydroxy-2-methylpropyl)acetamide
CID 65109465
N-[(1S)-1-(2,4-dimethylphenyl)propyl]pyridine-3-carboxamide
CID 100629953
N-(2,4-dimethylphenyl)-2-(2,5-dimethylphenyl)sulfanylacetamide
CID 24679630

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2,5-dimethylphenyl)sulfanylacetyl]pyridine-3-carbohydrazide?
The IUPAC name of N'-[2-(2,5-dimethylphenyl)sulfanylacetyl]pyridine-3-carbohydrazide (CID 26641197) is N'-[2-(2,5-dimethylphenyl)sulfanylacetyl]pyridine-3-carbohydrazide.
What is the SMILES notation for N'-[2-(2,5-dimethylphenyl)sulfanylacetyl]pyridine-3-carbohydrazide?
The canonical SMILES for N'-[2-(2,5-dimethylphenyl)sulfanylacetyl]pyridine-3-carbohydrazide is Cc1ccc(C)c(SCC(=O)NNC(=O)c2cccnc2)c1.
What is the InChIKey of N'-[2-(2,5-dimethylphenyl)sulfanylacetyl]pyridine-3-carbohydrazide?
The InChIKey is GLNWFVYIEARBQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2S/c1-11-5-6-12(2)14(8-11)22-10-15(20)18-19-16(21)13-4-3-7-17-9-13/h3-9H,10H2,1-2H3,(H,18,20)(H,19,21).
What are the key properties of N'-[2-(2,5-dimethylphenyl)sulfanylacetyl]pyridine-3-carbohydrazide?
N'-[2-(2,5-dimethylphenyl)sulfanylacetyl]pyridine-3-carbohydrazide has a molecular weight of 315.40 g/mol, XLogP of 2.25, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2,5-dimethylphenyl)sulfanylacetyl]pyridine-3-carbohydrazide is sourced from PubChem (CID 26641197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).