2-N,6-N-bis(2-methylsulfanylethyl)pyridine-2,6-dicarboxamide

C13H19N3O2S2 — CID 15905954

IUPAC2-N,6-N-bis(2-methylsulfanylethyl)pyridine-2,6-dicarboxamide
SMILESCSCCNC(=O)c1cccc(C(=O)NCCSC)n1
InChIInChI=1S/C13H19N3O2S2/c1-19-8-6-14-12(17)10-4-3-5-11(16-10)13(18)15-7-9-20-2/h3-5H,6-9H2,1-2H3,(H,14,17)(H,15,18)
InChIKeyNWLFFUBNEKMMFH-UHFFFAOYSA-N
MW313.45 g/mol
LogP1.27
Rot. Bonds8

About 2-N,6-N-bis(2-methylsulfanylethyl)pyridine-2,6-dicarboxamide

2-N,6-N-bis(2-methylsulfanylethyl)pyridine-2,6-dicarboxamide (PubChem CID 15905954) has the molecular formula C13H19N3O2S2 and a molecular weight of 313.45 g/mol. Its IUPAC name is 2-N,6-N-bis(2-methylsulfanylethyl)pyridine-2,6-dicarboxamide.

Molecular Properties

Compound Name2-N,6-N-bis(2-methylsulfanylethyl)pyridine-2,6-dicarboxamide
PubChem CID15905954
Molecular FormulaC13H19N3O2S2
Molecular Weight313.45 g/mol
Exact Mass313.09
IUPAC Name2-N,6-N-bis(2-methylsulfanylethyl)pyridine-2,6-dicarboxamide
SMILESCSCCNC(=O)c1cccc(C(=O)NCCSC)n1
InChIInChI=1S/C13H19N3O2S2/c1-19-8-6-14-12(17)10-4-3-5-11(16-10)13(18)15-7-9-20-2/h3-5H,6-9H2,1-2H3,(H,14,17)(H,15,18)
InChIKeyNWLFFUBNEKMMFH-UHFFFAOYSA-N
XLogP1.27
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.45
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 2-N,6-N-bis(2-methylsulfanylethyl)pyridine-2,6-dicarboxamide?
The IUPAC name of 2-N,6-N-bis(2-methylsulfanylethyl)pyridine-2,6-dicarboxamide (CID 15905954) is 2-N,6-N-bis(2-methylsulfanylethyl)pyridine-2,6-dicarboxamide.
What is the SMILES notation for 2-N,6-N-bis(2-methylsulfanylethyl)pyridine-2,6-dicarboxamide?
The canonical SMILES for 2-N,6-N-bis(2-methylsulfanylethyl)pyridine-2,6-dicarboxamide is CSCCNC(=O)c1cccc(C(=O)NCCSC)n1.
What is the InChIKey of 2-N,6-N-bis(2-methylsulfanylethyl)pyridine-2,6-dicarboxamide?
The InChIKey is NWLFFUBNEKMMFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2S2/c1-19-8-6-14-12(17)10-4-3-5-11(16-10)13(18)15-7-9-20-2/h3-5H,6-9H2,1-2H3,(H,14,17)(H,15,18).
What are the key properties of 2-N,6-N-bis(2-methylsulfanylethyl)pyridine-2,6-dicarboxamide?
2-N,6-N-bis(2-methylsulfanylethyl)pyridine-2,6-dicarboxamide has a molecular weight of 313.45 g/mol, XLogP of 1.27, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,6-N-bis(2-methylsulfanylethyl)pyridine-2,6-dicarboxamide is sourced from PubChem (CID 15905954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).