4-ethylsulfanyl-2-N,6-N-dimethylpyridine-2,6-dicarboxamide

C11H15N3O2S — CID 13235649

IUPAC4-ethylsulfanyl-2-N,6-N-dimethylpyridine-2,6-dicarboxamide
SMILESCCSc1cc(C(=O)NC)nc(C(=O)NC)c1
InChIInChI=1S/C11H15N3O2S/c1-4-17-7-5-8(10(15)12-2)14-9(6-7)11(16)13-3/h5-6H,4H2,1-3H3,(H,12,15)(H,13,16)
InChIKeyIHYGXTPIHQIROK-UHFFFAOYSA-N
MW253.33 g/mol
LogP0.91
Rot. Bonds4

About 4-ethylsulfanyl-2-N,6-N-dimethylpyridine-2,6-dicarboxamide

4-ethylsulfanyl-2-N,6-N-dimethylpyridine-2,6-dicarboxamide (PubChem CID 13235649) has the molecular formula C11H15N3O2S and a molecular weight of 253.33 g/mol. Its IUPAC name is 4-ethylsulfanyl-2-N,6-N-dimethylpyridine-2,6-dicarboxamide.

Molecular Properties

Compound Name4-ethylsulfanyl-2-N,6-N-dimethylpyridine-2,6-dicarboxamide
PubChem CID13235649
Molecular FormulaC11H15N3O2S
Molecular Weight253.33 g/mol
Exact Mass253.09
IUPAC Name4-ethylsulfanyl-2-N,6-N-dimethylpyridine-2,6-dicarboxamide
SMILESCCSc1cc(C(=O)NC)nc(C(=O)NC)c1
InChIInChI=1S/C11H15N3O2S/c1-4-17-7-5-8(10(15)12-2)14-9(6-7)11(16)13-3/h5-6H,4H2,1-3H3,(H,12,15)(H,13,16)
InChIKeyIHYGXTPIHQIROK-UHFFFAOYSA-N
XLogP0.91
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.33
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-ethylsulfanyl-2-N,6-N-dimethylpyridine-2,6-dicarboxamide?
The IUPAC name of 4-ethylsulfanyl-2-N,6-N-dimethylpyridine-2,6-dicarboxamide (CID 13235649) is 4-ethylsulfanyl-2-N,6-N-dimethylpyridine-2,6-dicarboxamide.
What is the SMILES notation for 4-ethylsulfanyl-2-N,6-N-dimethylpyridine-2,6-dicarboxamide?
The canonical SMILES for 4-ethylsulfanyl-2-N,6-N-dimethylpyridine-2,6-dicarboxamide is CCSc1cc(C(=O)NC)nc(C(=O)NC)c1.
What is the InChIKey of 4-ethylsulfanyl-2-N,6-N-dimethylpyridine-2,6-dicarboxamide?
The InChIKey is IHYGXTPIHQIROK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2S/c1-4-17-7-5-8(10(15)12-2)14-9(6-7)11(16)13-3/h5-6H,4H2,1-3H3,(H,12,15)(H,13,16).
What are the key properties of 4-ethylsulfanyl-2-N,6-N-dimethylpyridine-2,6-dicarboxamide?
4-ethylsulfanyl-2-N,6-N-dimethylpyridine-2,6-dicarboxamide has a molecular weight of 253.33 g/mol, XLogP of 0.91, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylsulfanyl-2-N,6-N-dimethylpyridine-2,6-dicarboxamide is sourced from PubChem (CID 13235649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).