6-methyl-2-(2-methylsulfanylethylamino)pyridine-3-carbonitrile

C10H13N3S — CID 63964127

IUPAC6-methyl-2-(2-methylsulfanylethylamino)pyridine-3-carbonitrile
SMILESCSCCNc1nc(C)ccc1C#N
InChIInChI=1S/C10H13N3S/c1-8-3-4-9(7-11)10(13-8)12-5-6-14-2/h3-4H,5-6H2,1-2H3,(H,12,13)
InChIKeyYQFAXMPUMPJHQB-UHFFFAOYSA-N
MW207.30 g/mol
LogP2.04
Rot. Bonds4

About 6-methyl-2-(2-methylsulfanylethylamino)pyridine-3-carbonitrile

6-methyl-2-(2-methylsulfanylethylamino)pyridine-3-carbonitrile (PubChem CID 63964127) has the molecular formula C10H13N3S and a molecular weight of 207.30 g/mol. Its IUPAC name is 6-methyl-2-(2-methylsulfanylethylamino)pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-methyl-2-(2-methylsulfanylethylamino)pyridine-3-carbonitrile
PubChem CID63964127
Molecular FormulaC10H13N3S
Molecular Weight207.30 g/mol
Exact Mass207.08
IUPAC Name6-methyl-2-(2-methylsulfanylethylamino)pyridine-3-carbonitrile
SMILESCSCCNc1nc(C)ccc1C#N
InChIInChI=1S/C10H13N3S/c1-8-3-4-9(7-11)10(13-8)12-5-6-14-2/h3-4H,5-6H2,1-2H3,(H,12,13)
InChIKeyYQFAXMPUMPJHQB-UHFFFAOYSA-N
XLogP2.04
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.30
LogP ≤ 52.04
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 6-methyl-2-(2-methylsulfanylethylamino)pyridine-3-carbonitrile?
The IUPAC name of 6-methyl-2-(2-methylsulfanylethylamino)pyridine-3-carbonitrile (CID 63964127) is 6-methyl-2-(2-methylsulfanylethylamino)pyridine-3-carbonitrile.
What is the SMILES notation for 6-methyl-2-(2-methylsulfanylethylamino)pyridine-3-carbonitrile?
The canonical SMILES for 6-methyl-2-(2-methylsulfanylethylamino)pyridine-3-carbonitrile is CSCCNc1nc(C)ccc1C#N.
What is the InChIKey of 6-methyl-2-(2-methylsulfanylethylamino)pyridine-3-carbonitrile?
The InChIKey is YQFAXMPUMPJHQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3S/c1-8-3-4-9(7-11)10(13-8)12-5-6-14-2/h3-4H,5-6H2,1-2H3,(H,12,13).
What are the key properties of 6-methyl-2-(2-methylsulfanylethylamino)pyridine-3-carbonitrile?
6-methyl-2-(2-methylsulfanylethylamino)pyridine-3-carbonitrile has a molecular weight of 207.30 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(2-methylsulfanylethylamino)pyridine-3-carbonitrile is sourced from PubChem (CID 63964127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).