2-methyl-6-[(2-methyl-2-methylsulfanylpropyl)amino]pyridine-4-carbonitrile

C12H17N3S — CID 114766642

IUPAC2-methyl-6-[(2-methyl-2-methylsulfanylpropyl)amino]pyridine-4-carbonitrile
SMILESCSC(C)(C)CNc1cc(C#N)cc(C)n1
InChIInChI=1S/C12H17N3S/c1-9-5-10(7-13)6-11(15-9)14-8-12(2,3)16-4/h5-6H,8H2,1-4H3,(H,14,15)
InChIKeyUYSDJNDUOQNNOK-UHFFFAOYSA-N
MW235.36 g/mol
LogP2.82
Rot. Bonds4

About 2-methyl-6-[(2-methyl-2-methylsulfanylpropyl)amino]pyridine-4-carbonitrile

2-methyl-6-[(2-methyl-2-methylsulfanylpropyl)amino]pyridine-4-carbonitrile (PubChem CID 114766642) has the molecular formula C12H17N3S and a molecular weight of 235.36 g/mol. Its IUPAC name is 2-methyl-6-[(2-methyl-2-methylsulfanylpropyl)amino]pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-methyl-6-[(2-methyl-2-methylsulfanylpropyl)amino]pyridine-4-carbonitrile
PubChem CID114766642
Molecular FormulaC12H17N3S
Molecular Weight235.36 g/mol
Exact Mass235.11
IUPAC Name2-methyl-6-[(2-methyl-2-methylsulfanylpropyl)amino]pyridine-4-carbonitrile
SMILESCSC(C)(C)CNc1cc(C#N)cc(C)n1
InChIInChI=1S/C12H17N3S/c1-9-5-10(7-13)6-11(15-9)14-8-12(2,3)16-4/h5-6H,8H2,1-4H3,(H,14,15)
InChIKeyUYSDJNDUOQNNOK-UHFFFAOYSA-N
XLogP2.82
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.36
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[(2-methyl-2-methylsulfanylpropyl)amino]pyridine-4-carbonitrile?
The IUPAC name of 2-methyl-6-[(2-methyl-2-methylsulfanylpropyl)amino]pyridine-4-carbonitrile (CID 114766642) is 2-methyl-6-[(2-methyl-2-methylsulfanylpropyl)amino]pyridine-4-carbonitrile.
What is the SMILES notation for 2-methyl-6-[(2-methyl-2-methylsulfanylpropyl)amino]pyridine-4-carbonitrile?
The canonical SMILES for 2-methyl-6-[(2-methyl-2-methylsulfanylpropyl)amino]pyridine-4-carbonitrile is CSC(C)(C)CNc1cc(C#N)cc(C)n1.
What is the InChIKey of 2-methyl-6-[(2-methyl-2-methylsulfanylpropyl)amino]pyridine-4-carbonitrile?
The InChIKey is UYSDJNDUOQNNOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3S/c1-9-5-10(7-13)6-11(15-9)14-8-12(2,3)16-4/h5-6H,8H2,1-4H3,(H,14,15).
What are the key properties of 2-methyl-6-[(2-methyl-2-methylsulfanylpropyl)amino]pyridine-4-carbonitrile?
2-methyl-6-[(2-methyl-2-methylsulfanylpropyl)amino]pyridine-4-carbonitrile has a molecular weight of 235.36 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[(2-methyl-2-methylsulfanylpropyl)amino]pyridine-4-carbonitrile is sourced from PubChem (CID 114766642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).