N'-(2-phenylsulfanylacetyl)pyridine-4-carbohydrazide

C14H13N3O2S — CID 965573

IUPACN'-(2-phenylsulfanylacetyl)pyridine-4-carbohydrazide
SMILESO=C(CSc1ccccc1)NNC(=O)c1ccncc1
InChIInChI=1S/C14H13N3O2S/c18-13(10-20-12-4-2-1-3-5-12)16-17-14(19)11-6-8-15-9-7-11/h1-9H,10H2,(H,16,18)(H,17,19)
InChIKeySBUVXBQOSBCGMP-UHFFFAOYSA-N
MW287.34 g/mol
LogP1.63
Rot. Bonds4

About N'-(2-phenylsulfanylacetyl)pyridine-4-carbohydrazide

N'-(2-phenylsulfanylacetyl)pyridine-4-carbohydrazide (PubChem CID 965573) has the molecular formula C14H13N3O2S and a molecular weight of 287.34 g/mol. Its IUPAC name is N'-(2-phenylsulfanylacetyl)pyridine-4-carbohydrazide.

Molecular Properties

Compound NameN'-(2-phenylsulfanylacetyl)pyridine-4-carbohydrazide
PubChem CID965573
Molecular FormulaC14H13N3O2S
Molecular Weight287.34 g/mol
Exact Mass287.07
IUPAC NameN'-(2-phenylsulfanylacetyl)pyridine-4-carbohydrazide
SMILESO=C(CSc1ccccc1)NNC(=O)c1ccncc1
InChIInChI=1S/C14H13N3O2S/c18-13(10-20-12-4-2-1-3-5-12)16-17-14(19)11-6-8-15-9-7-11/h1-9H,10H2,(H,16,18)(H,17,19)
InChIKeySBUVXBQOSBCGMP-UHFFFAOYSA-N
XLogP1.63
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N'-(2-phenylsulfanylacetyl)pyridine-4-carbohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-(2-phenylsulfanylacetyl)pyridine-4-carbohydrazide?
The IUPAC name of N'-(2-phenylsulfanylacetyl)pyridine-4-carbohydrazide (CID 965573) is N'-(2-phenylsulfanylacetyl)pyridine-4-carbohydrazide.
What is the SMILES notation for N'-(2-phenylsulfanylacetyl)pyridine-4-carbohydrazide?
The canonical SMILES for N'-(2-phenylsulfanylacetyl)pyridine-4-carbohydrazide is O=C(CSc1ccccc1)NNC(=O)c1ccncc1.
What is the InChIKey of N'-(2-phenylsulfanylacetyl)pyridine-4-carbohydrazide?
The InChIKey is SBUVXBQOSBCGMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2S/c18-13(10-20-12-4-2-1-3-5-12)16-17-14(19)11-6-8-15-9-7-11/h1-9H,10H2,(H,16,18)(H,17,19).
What are the key properties of N'-(2-phenylsulfanylacetyl)pyridine-4-carbohydrazide?
N'-(2-phenylsulfanylacetyl)pyridine-4-carbohydrazide has a molecular weight of 287.34 g/mol, XLogP of 1.63, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-phenylsulfanylacetyl)pyridine-4-carbohydrazide is sourced from PubChem (CID 965573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).