2,6-dimethyl-4-[(2-methyl-2-methylsulfonylpropyl)amino]pyridine-3-carbonitrile

C13H19N3O2S — CID 81059921

IUPAC2,6-dimethyl-4-[(2-methyl-2-methylsulfonylpropyl)amino]pyridine-3-carbonitrile
SMILESCc1cc(NCC(C)(C)S(C)(=O)=O)c(C#N)c(C)n1
InChIInChI=1S/C13H19N3O2S/c1-9-6-12(11(7-14)10(2)16-9)15-8-13(3,4)19(5,17)18/h6H,8H2,1-5H3,(H,15,16)
InChIKeyMTHLNIKECOZKJV-UHFFFAOYSA-N
MW281.38 g/mol
LogP1.81
Rot. Bonds4

About 2,6-dimethyl-4-[(2-methyl-2-methylsulfonylpropyl)amino]pyridine-3-carbonitrile

2,6-dimethyl-4-[(2-methyl-2-methylsulfonylpropyl)amino]pyridine-3-carbonitrile (PubChem CID 81059921) has the molecular formula C13H19N3O2S and a molecular weight of 281.38 g/mol. Its IUPAC name is 2,6-dimethyl-4-[(2-methyl-2-methylsulfonylpropyl)amino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2,6-dimethyl-4-[(2-methyl-2-methylsulfonylpropyl)amino]pyridine-3-carbonitrile
PubChem CID81059921
Molecular FormulaC13H19N3O2S
Molecular Weight281.38 g/mol
Exact Mass281.12
IUPAC Name2,6-dimethyl-4-[(2-methyl-2-methylsulfonylpropyl)amino]pyridine-3-carbonitrile
SMILESCc1cc(NCC(C)(C)S(C)(=O)=O)c(C#N)c(C)n1
InChIInChI=1S/C13H19N3O2S/c1-9-6-12(11(7-14)10(2)16-9)15-8-13(3,4)19(5,17)18/h6H,8H2,1-5H3,(H,15,16)
InChIKeyMTHLNIKECOZKJV-UHFFFAOYSA-N
XLogP1.81
TPSA82.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-[(2-methyl-2-methylsulfonylpropyl)amino]pyridine-3-carbonitrile?
The IUPAC name of 2,6-dimethyl-4-[(2-methyl-2-methylsulfonylpropyl)amino]pyridine-3-carbonitrile (CID 81059921) is 2,6-dimethyl-4-[(2-methyl-2-methylsulfonylpropyl)amino]pyridine-3-carbonitrile.
What is the SMILES notation for 2,6-dimethyl-4-[(2-methyl-2-methylsulfonylpropyl)amino]pyridine-3-carbonitrile?
The canonical SMILES for 2,6-dimethyl-4-[(2-methyl-2-methylsulfonylpropyl)amino]pyridine-3-carbonitrile is Cc1cc(NCC(C)(C)S(C)(=O)=O)c(C#N)c(C)n1.
What is the InChIKey of 2,6-dimethyl-4-[(2-methyl-2-methylsulfonylpropyl)amino]pyridine-3-carbonitrile?
The InChIKey is MTHLNIKECOZKJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2S/c1-9-6-12(11(7-14)10(2)16-9)15-8-13(3,4)19(5,17)18/h6H,8H2,1-5H3,(H,15,16).
What are the key properties of 2,6-dimethyl-4-[(2-methyl-2-methylsulfonylpropyl)amino]pyridine-3-carbonitrile?
2,6-dimethyl-4-[(2-methyl-2-methylsulfonylpropyl)amino]pyridine-3-carbonitrile has a molecular weight of 281.38 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-[(2-methyl-2-methylsulfonylpropyl)amino]pyridine-3-carbonitrile is sourced from PubChem (CID 81059921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).