N-pyridin-2-yl-2-(2-pyridin-2-ylethylsulfanyl)acetamide

C14H15N3OS — CID 3238824

IUPACN-pyridin-2-yl-2-(2-pyridin-2-ylethylsulfanyl)acetamide
SMILESO=C(CSCCc1ccccn1)Nc1ccccn1
InChIInChI=1S/C14H15N3OS/c18-14(17-13-6-2-4-9-16-13)11-19-10-7-12-5-1-3-8-15-12/h1-6,8-9H,7,10-11H2,(H,16,17,18)
InChIKeyFWHXEVGYFHJAMO-UHFFFAOYSA-N
MW273.36 g/mol
LogP2.39
Rot. Bonds6

About N-pyridin-2-yl-2-(2-pyridin-2-ylethylsulfanyl)acetamide

N-pyridin-2-yl-2-(2-pyridin-2-ylethylsulfanyl)acetamide (PubChem CID 3238824) has the molecular formula C14H15N3OS and a molecular weight of 273.36 g/mol. Its IUPAC name is N-pyridin-2-yl-2-(2-pyridin-2-ylethylsulfanyl)acetamide.

Molecular Properties

Compound NameN-pyridin-2-yl-2-(2-pyridin-2-ylethylsulfanyl)acetamide
PubChem CID3238824
Molecular FormulaC14H15N3OS
Molecular Weight273.36 g/mol
Exact Mass273.09
IUPAC NameN-pyridin-2-yl-2-(2-pyridin-2-ylethylsulfanyl)acetamide
SMILESO=C(CSCCc1ccccn1)Nc1ccccn1
InChIInChI=1S/C14H15N3OS/c18-14(17-13-6-2-4-9-16-13)11-19-10-7-12-5-1-3-8-15-12/h1-6,8-9H,7,10-11H2,(H,16,17,18)
InChIKeyFWHXEVGYFHJAMO-UHFFFAOYSA-N
XLogP2.39
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-pyridin-2-yl-2-(2-pyridin-2-ylethylsulfanyl)acetamide with MolForge

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

Launch Full Analysis

Related Compounds

N-Phenyl-N'-2-pyridinylurea
CID 221427
N,N'-Bis(2-pyridyl)oxalamide
CID 1927420
N-(pyridin-2-yl)pyridine-2-carbothioamide
CID 750538
N,N'-Di-pyridin-2-yl-malonamide
CID 565132
2-{[2-Oxo-2-(2-pyridylamino)ethyl]thio}acetic acid
CID 2825947
N-phenyl-2-(2-pyridylmethylthio)acetamide
CID 650720
N-pyridin-2-yl-2-thiophen-2-ylacetamide
CID 836204
N1-(4-methyl-2-pyridyl)-2-(2-pyridylthio)acetamide
CID 2803820
N,N-2,2'-Dipyridylacetamide
CID 52053
N-(4,6-dimethylpyrimidin-2-yl)-2-pyridin-2-ylsulfanylacetamide
CID 888679
N-(5-bromopyridin-2-yl)-2-pyridin-2-ylsulfanylacetamide
CID 934679
2-[(4-methyl-1,3-thiazol-2-yl)thio]-N-2-pyridinylacetamide
CID 2224656

Frequently Asked Questions

What is the IUPAC name of N-pyridin-2-yl-2-(2-pyridin-2-ylethylsulfanyl)acetamide?
The IUPAC name of N-pyridin-2-yl-2-(2-pyridin-2-ylethylsulfanyl)acetamide (CID 3238824) is N-pyridin-2-yl-2-(2-pyridin-2-ylethylsulfanyl)acetamide.
What is the SMILES notation for N-pyridin-2-yl-2-(2-pyridin-2-ylethylsulfanyl)acetamide?
The canonical SMILES for N-pyridin-2-yl-2-(2-pyridin-2-ylethylsulfanyl)acetamide is O=C(CSCCc1ccccn1)Nc1ccccn1.
What is the InChIKey of N-pyridin-2-yl-2-(2-pyridin-2-ylethylsulfanyl)acetamide?
The InChIKey is FWHXEVGYFHJAMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3OS/c18-14(17-13-6-2-4-9-16-13)11-19-10-7-12-5-1-3-8-15-12/h1-6,8-9H,7,10-11H2,(H,16,17,18).
What are the key properties of N-pyridin-2-yl-2-(2-pyridin-2-ylethylsulfanyl)acetamide?
N-pyridin-2-yl-2-(2-pyridin-2-ylethylsulfanyl)acetamide has a molecular weight of 273.36 g/mol, XLogP of 2.39, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyridin-2-yl-2-(2-pyridin-2-ylethylsulfanyl)acetamide is sourced from PubChem (CID 3238824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).