N-(4-methyl-2-pyridinyl)-2-(pyridin-3-ylmethylsulfanyl)acetamide

C14H15N3OS — CID 47070356

IUPACN-(4-methyl-2-pyridinyl)-2-(pyridin-3-ylmethylsulfanyl)acetamide
SMILESCc1ccnc(NC(=O)CSCc2cccnc2)c1
InChIInChI=1S/C14H15N3OS/c1-11-4-6-16-13(7-11)17-14(18)10-19-9-12-3-2-5-15-8-12/h2-8H,9-10H2,1H3,(H,16,17,18)
InChIKeyHVECQYUGUXKVFJ-UHFFFAOYSA-N
MW273.36 g/mol
LogP2.66
Rot. Bonds5

About N-(4-methyl-2-pyridinyl)-2-(pyridin-3-ylmethylsulfanyl)acetamide

N-(4-methyl-2-pyridinyl)-2-(pyridin-3-ylmethylsulfanyl)acetamide (PubChem CID 47070356) has the molecular formula C14H15N3OS and a molecular weight of 273.36 g/mol. Its IUPAC name is N-(4-methyl-2-pyridinyl)-2-(pyridin-3-ylmethylsulfanyl)acetamide.

Molecular Properties

Compound NameN-(4-methyl-2-pyridinyl)-2-(pyridin-3-ylmethylsulfanyl)acetamide
PubChem CID47070356
Molecular FormulaC14H15N3OS
Molecular Weight273.36 g/mol
Exact Mass273.09
IUPAC NameN-(4-methyl-2-pyridinyl)-2-(pyridin-3-ylmethylsulfanyl)acetamide
SMILESCc1ccnc(NC(=O)CSCc2cccnc2)c1
InChIInChI=1S/C14H15N3OS/c1-11-4-6-16-13(7-11)17-14(18)10-19-9-12-3-2-5-15-8-12/h2-8H,9-10H2,1H3,(H,16,17,18)
InChIKeyHVECQYUGUXKVFJ-UHFFFAOYSA-N
XLogP2.66
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(4-methyl-2-pyridinyl)-2-(pyridin-3-ylmethylsulfanyl)acetamide 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-(4-methyl-2-pyridinyl)-2-(pyridin-3-ylmethylsulfanyl)acetamide?
The IUPAC name of N-(4-methyl-2-pyridinyl)-2-(pyridin-3-ylmethylsulfanyl)acetamide (CID 47070356) is N-(4-methyl-2-pyridinyl)-2-(pyridin-3-ylmethylsulfanyl)acetamide.
What is the SMILES notation for N-(4-methyl-2-pyridinyl)-2-(pyridin-3-ylmethylsulfanyl)acetamide?
The canonical SMILES for N-(4-methyl-2-pyridinyl)-2-(pyridin-3-ylmethylsulfanyl)acetamide is Cc1ccnc(NC(=O)CSCc2cccnc2)c1.
What is the InChIKey of N-(4-methyl-2-pyridinyl)-2-(pyridin-3-ylmethylsulfanyl)acetamide?
The InChIKey is HVECQYUGUXKVFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3OS/c1-11-4-6-16-13(7-11)17-14(18)10-19-9-12-3-2-5-15-8-12/h2-8H,9-10H2,1H3,(H,16,17,18).
What are the key properties of N-(4-methyl-2-pyridinyl)-2-(pyridin-3-ylmethylsulfanyl)acetamide?
N-(4-methyl-2-pyridinyl)-2-(pyridin-3-ylmethylsulfanyl)acetamide has a molecular weight of 273.36 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-2-pyridinyl)-2-(pyridin-3-ylmethylsulfanyl)acetamide is sourced from PubChem (CID 47070356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).