N-(6-methyl-2-pyridinyl)-2-(2-pyridin-4-ylethylsulfanyl)acetamide

C15H17N3OS — CID 3703386

IUPACN-(6-methyl-2-pyridinyl)-2-(2-pyridin-4-ylethylsulfanyl)acetamide
SMILESCc1cccc(NC(=O)CSCCc2ccncc2)n1
InChIInChI=1S/C15H17N3OS/c1-12-3-2-4-14(17-12)18-15(19)11-20-10-7-13-5-8-16-9-6-13/h2-6,8-9H,7,10-11H2,1H3,(H,17,18,19)
InChIKeyRAUFCMWGXDBVKT-UHFFFAOYSA-N
MW287.39 g/mol
LogP2.70
Rot. Bonds6

About N-(6-methyl-2-pyridinyl)-2-(2-pyridin-4-ylethylsulfanyl)acetamide

N-(6-methyl-2-pyridinyl)-2-(2-pyridin-4-ylethylsulfanyl)acetamide (PubChem CID 3703386) has the molecular formula C15H17N3OS and a molecular weight of 287.39 g/mol. Its IUPAC name is N-(6-methyl-2-pyridinyl)-2-(2-pyridin-4-ylethylsulfanyl)acetamide.

Molecular Properties

Compound NameN-(6-methyl-2-pyridinyl)-2-(2-pyridin-4-ylethylsulfanyl)acetamide
PubChem CID3703386
Molecular FormulaC15H17N3OS
Molecular Weight287.39 g/mol
Exact Mass287.11
IUPAC NameN-(6-methyl-2-pyridinyl)-2-(2-pyridin-4-ylethylsulfanyl)acetamide
SMILESCc1cccc(NC(=O)CSCCc2ccncc2)n1
InChIInChI=1S/C15H17N3OS/c1-12-3-2-4-14(17-12)18-15(19)11-20-10-7-13-5-8-16-9-6-13/h2-6,8-9H,7,10-11H2,1H3,(H,17,18,19)
InChIKeyRAUFCMWGXDBVKT-UHFFFAOYSA-N
XLogP2.70
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(6-methyl-2-pyridinyl)-2-(2-pyridin-4-ylethylsulfanyl)acetamide?
The IUPAC name of N-(6-methyl-2-pyridinyl)-2-(2-pyridin-4-ylethylsulfanyl)acetamide (CID 3703386) is N-(6-methyl-2-pyridinyl)-2-(2-pyridin-4-ylethylsulfanyl)acetamide.
What is the SMILES notation for N-(6-methyl-2-pyridinyl)-2-(2-pyridin-4-ylethylsulfanyl)acetamide?
The canonical SMILES for N-(6-methyl-2-pyridinyl)-2-(2-pyridin-4-ylethylsulfanyl)acetamide is Cc1cccc(NC(=O)CSCCc2ccncc2)n1.
What is the InChIKey of N-(6-methyl-2-pyridinyl)-2-(2-pyridin-4-ylethylsulfanyl)acetamide?
The InChIKey is RAUFCMWGXDBVKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3OS/c1-12-3-2-4-14(17-12)18-15(19)11-20-10-7-13-5-8-16-9-6-13/h2-6,8-9H,7,10-11H2,1H3,(H,17,18,19).
What are the key properties of N-(6-methyl-2-pyridinyl)-2-(2-pyridin-4-ylethylsulfanyl)acetamide?
N-(6-methyl-2-pyridinyl)-2-(2-pyridin-4-ylethylsulfanyl)acetamide has a molecular weight of 287.39 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methyl-2-pyridinyl)-2-(2-pyridin-4-ylethylsulfanyl)acetamide is sourced from PubChem (CID 3703386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).