2,6-dimethyl-4-(2-thiophen-2-ylethylamino)pyridine-3-carbonitrile

C14H15N3S — CID 81042656

IUPAC2,6-dimethyl-4-(2-thiophen-2-ylethylamino)pyridine-3-carbonitrile
SMILESCc1cc(NCCc2cccs2)c(C#N)c(C)n1
InChIInChI=1S/C14H15N3S/c1-10-8-14(13(9-15)11(2)17-10)16-6-5-12-4-3-7-18-12/h3-4,7-8H,5-6H2,1-2H3,(H,16,17)
InChIKeyNIMVXUHCXVOMPO-UHFFFAOYSA-N
MW257.36 g/mol
LogP3.29
Rot. Bonds4

About 2,6-dimethyl-4-(2-thiophen-2-ylethylamino)pyridine-3-carbonitrile

2,6-dimethyl-4-(2-thiophen-2-ylethylamino)pyridine-3-carbonitrile (PubChem CID 81042656) has the molecular formula C14H15N3S and a molecular weight of 257.36 g/mol. Its IUPAC name is 2,6-dimethyl-4-(2-thiophen-2-ylethylamino)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2,6-dimethyl-4-(2-thiophen-2-ylethylamino)pyridine-3-carbonitrile
PubChem CID81042656
Molecular FormulaC14H15N3S
Molecular Weight257.36 g/mol
Exact Mass257.10
IUPAC Name2,6-dimethyl-4-(2-thiophen-2-ylethylamino)pyridine-3-carbonitrile
SMILESCc1cc(NCCc2cccs2)c(C#N)c(C)n1
InChIInChI=1S/C14H15N3S/c1-10-8-14(13(9-15)11(2)17-10)16-6-5-12-4-3-7-18-12/h3-4,7-8H,5-6H2,1-2H3,(H,16,17)
InChIKeyNIMVXUHCXVOMPO-UHFFFAOYSA-N
XLogP3.29
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-5-(2-thiophen-2-ylethylamino)-1,2-thiazole-4-carbonitrile
CID 79375455
2,6-dimethyl-4-[2-(1H-1,2,4-triazol-5-yl)ethylamino]pyridine-3-carbonitrile
CID 81052464
6-methyl-2-(2-thiophen-2-ylethylamino)pyridine-3-carbonitrile
CID 55207434
2,6-dimethyl-4-(3-methylbutylamino)pyridine-3-carbonitrile
CID 81042476
4-[2-(2,4-dichlorophenyl)ethylamino]-2,6-dimethylpyridine-3-carbonitrile
CID 81061197
methyl 3-[(3-cyano-2,6-dimethyl-4-pyridinyl)amino]propanoate
CID 81061329
4-[2-(cyclopenten-1-yl)ethylamino]-2,6-dimethylpyridine-3-carbonitrile
CID 103844191
2,6-dimethyl-4-[2-(1-methylpyrazol-4-yl)ethylamino]pyridine-3-carbonitrile
CID 81060304
2,6-dimethyl-4-[(3-methylphenyl)methylamino]pyridine-3-carbonitrile
CID 81060441
4-(3-ethoxypropylamino)-2,6-dimethylpyridine-3-carbonitrile
CID 81061309
4-[3-(cyclopropylamino)propylamino]-2,6-dimethylpyridine-3-carbonitrile
CID 81052089
4-[2-(azepan-1-yl)ethylamino]-2,6-dimethylpyridine-3-carbonitrile
CID 81043474

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-(2-thiophen-2-ylethylamino)pyridine-3-carbonitrile?
The IUPAC name of 2,6-dimethyl-4-(2-thiophen-2-ylethylamino)pyridine-3-carbonitrile (CID 81042656) is 2,6-dimethyl-4-(2-thiophen-2-ylethylamino)pyridine-3-carbonitrile.
What is the SMILES notation for 2,6-dimethyl-4-(2-thiophen-2-ylethylamino)pyridine-3-carbonitrile?
The canonical SMILES for 2,6-dimethyl-4-(2-thiophen-2-ylethylamino)pyridine-3-carbonitrile is Cc1cc(NCCc2cccs2)c(C#N)c(C)n1.
What is the InChIKey of 2,6-dimethyl-4-(2-thiophen-2-ylethylamino)pyridine-3-carbonitrile?
The InChIKey is NIMVXUHCXVOMPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3S/c1-10-8-14(13(9-15)11(2)17-10)16-6-5-12-4-3-7-18-12/h3-4,7-8H,5-6H2,1-2H3,(H,16,17).
What are the key properties of 2,6-dimethyl-4-(2-thiophen-2-ylethylamino)pyridine-3-carbonitrile?
2,6-dimethyl-4-(2-thiophen-2-ylethylamino)pyridine-3-carbonitrile has a molecular weight of 257.36 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-(2-thiophen-2-ylethylamino)pyridine-3-carbonitrile is sourced from PubChem (CID 81042656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).