N'-[2-(2-methylphenyl)sulfanylacetyl]pyridine-4-carbohydrazide

C15H15N3O2S — CID 25161864

IUPACN'-[2-(2-methylphenyl)sulfanylacetyl]pyridine-4-carbohydrazide
SMILESCc1ccccc1SCC(=O)NNC(=O)c1ccncc1
InChIInChI=1S/C15H15N3O2S/c1-11-4-2-3-5-13(11)21-10-14(19)17-18-15(20)12-6-8-16-9-7-12/h2-9H,10H2,1H3,(H,17,19)(H,18,20)
InChIKeyNSQUKNOHCMGFMX-UHFFFAOYSA-N
MW301.37 g/mol
LogP1.94
Rot. Bonds4

About N'-[2-(2-methylphenyl)sulfanylacetyl]pyridine-4-carbohydrazide

N'-[2-(2-methylphenyl)sulfanylacetyl]pyridine-4-carbohydrazide (PubChem CID 25161864) has the molecular formula C15H15N3O2S and a molecular weight of 301.37 g/mol. Its IUPAC name is N'-[2-(2-methylphenyl)sulfanylacetyl]pyridine-4-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(2-methylphenyl)sulfanylacetyl]pyridine-4-carbohydrazide
PubChem CID25161864
Molecular FormulaC15H15N3O2S
Molecular Weight301.37 g/mol
Exact Mass301.09
IUPAC NameN'-[2-(2-methylphenyl)sulfanylacetyl]pyridine-4-carbohydrazide
SMILESCc1ccccc1SCC(=O)NNC(=O)c1ccncc1
InChIInChI=1S/C15H15N3O2S/c1-11-4-2-3-5-13(11)21-10-14(19)17-18-15(20)12-6-8-16-9-7-12/h2-9H,10H2,1H3,(H,17,19)(H,18,20)
InChIKeyNSQUKNOHCMGFMX-UHFFFAOYSA-N
XLogP1.94
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 51.94
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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Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-methylphenyl)sulfanylacetyl]pyridine-4-carbohydrazide?
The IUPAC name of N'-[2-(2-methylphenyl)sulfanylacetyl]pyridine-4-carbohydrazide (CID 25161864) is N'-[2-(2-methylphenyl)sulfanylacetyl]pyridine-4-carbohydrazide.
What is the SMILES notation for N'-[2-(2-methylphenyl)sulfanylacetyl]pyridine-4-carbohydrazide?
The canonical SMILES for N'-[2-(2-methylphenyl)sulfanylacetyl]pyridine-4-carbohydrazide is Cc1ccccc1SCC(=O)NNC(=O)c1ccncc1.
What is the InChIKey of N'-[2-(2-methylphenyl)sulfanylacetyl]pyridine-4-carbohydrazide?
The InChIKey is NSQUKNOHCMGFMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2S/c1-11-4-2-3-5-13(11)21-10-14(19)17-18-15(20)12-6-8-16-9-7-12/h2-9H,10H2,1H3,(H,17,19)(H,18,20).
What are the key properties of N'-[2-(2-methylphenyl)sulfanylacetyl]pyridine-4-carbohydrazide?
N'-[2-(2-methylphenyl)sulfanylacetyl]pyridine-4-carbohydrazide has a molecular weight of 301.37 g/mol, XLogP of 1.94, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-methylphenyl)sulfanylacetyl]pyridine-4-carbohydrazide is sourced from PubChem (CID 25161864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).