2,6-dimethyl-4-[(1-methylsulfanylcyclopropyl)methylamino]pyridine-3-carbonitrile

C13H17N3S — CID 107268896

IUPAC2,6-dimethyl-4-[(1-methylsulfanylcyclopropyl)methylamino]pyridine-3-carbonitrile
SMILESCSC1(CNc2cc(C)nc(C)c2C#N)CC1
InChIInChI=1S/C13H17N3S/c1-9-6-12(11(7-14)10(2)16-9)15-8-13(17-3)4-5-13/h6H,4-5,8H2,1-3H3,(H,15,16)
InChIKeyRNYBMGGWZBZXAN-UHFFFAOYSA-N
MW247.37 g/mol
LogP2.88
Rot. Bonds4

About 2,6-dimethyl-4-[(1-methylsulfanylcyclopropyl)methylamino]pyridine-3-carbonitrile

2,6-dimethyl-4-[(1-methylsulfanylcyclopropyl)methylamino]pyridine-3-carbonitrile (PubChem CID 107268896) has the molecular formula C13H17N3S and a molecular weight of 247.37 g/mol. Its IUPAC name is 2,6-dimethyl-4-[(1-methylsulfanylcyclopropyl)methylamino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2,6-dimethyl-4-[(1-methylsulfanylcyclopropyl)methylamino]pyridine-3-carbonitrile
PubChem CID107268896
Molecular FormulaC13H17N3S
Molecular Weight247.37 g/mol
Exact Mass247.11
IUPAC Name2,6-dimethyl-4-[(1-methylsulfanylcyclopropyl)methylamino]pyridine-3-carbonitrile
SMILESCSC1(CNc2cc(C)nc(C)c2C#N)CC1
InChIInChI=1S/C13H17N3S/c1-9-6-12(11(7-14)10(2)16-9)15-8-13(17-3)4-5-13/h6H,4-5,8H2,1-3H3,(H,15,16)
InChIKeyRNYBMGGWZBZXAN-UHFFFAOYSA-N
XLogP2.88
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.37
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4-hydroxyoxan-4-yl)methylamino]-2,6-dimethylpyridine-3-carbonitrile
CID 81043326
2,6-dimethyl-4-[(4-methyloxan-4-yl)methylamino]pyridine-3-carbonitrile
CID 103823160
4-[(2-ethyl-2-methylsulfanylbutyl)amino]-2,6-dimethylpyridine-3-carbonitrile
CID 103823147
4-[(2-hydroxy-2-methylpropyl)amino]-2,6-dimethylpyridine-3-carbonitrile
CID 81042969
4-(2,2-difluoroethylamino)-2,6-dimethylpyridine-3-carbonitrile
CID 115282671
2,6-dimethyl-4-(3-methylbutylamino)pyridine-3-carbonitrile
CID 81042476
2,6-dimethyl-4-(3-methylbut-2-enylamino)pyridine-3-carbonitrile
CID 103525162
4-[2-(azepan-1-yl)ethylamino]-2,6-dimethylpyridine-3-carbonitrile
CID 81043474
6-methyl-2-[(1-methylsulfanylcyclopentyl)methylamino]pyrimidine-4-carbonitrile
CID 114116293
4-[3-(cyclopropylamino)propylamino]-2,6-dimethylpyridine-3-carbonitrile
CID 81052089
2-fluoro-6-[(1-methylsulfanylcyclopropyl)methylamino]benzonitrile
CID 107269115
4-[[(3-cyano-2,6-dimethyl-4-pyridinyl)amino]methyl]benzamide
CID 133396427

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-[(1-methylsulfanylcyclopropyl)methylamino]pyridine-3-carbonitrile?
The IUPAC name of 2,6-dimethyl-4-[(1-methylsulfanylcyclopropyl)methylamino]pyridine-3-carbonitrile (CID 107268896) is 2,6-dimethyl-4-[(1-methylsulfanylcyclopropyl)methylamino]pyridine-3-carbonitrile.
What is the SMILES notation for 2,6-dimethyl-4-[(1-methylsulfanylcyclopropyl)methylamino]pyridine-3-carbonitrile?
The canonical SMILES for 2,6-dimethyl-4-[(1-methylsulfanylcyclopropyl)methylamino]pyridine-3-carbonitrile is CSC1(CNc2cc(C)nc(C)c2C#N)CC1.
What is the InChIKey of 2,6-dimethyl-4-[(1-methylsulfanylcyclopropyl)methylamino]pyridine-3-carbonitrile?
The InChIKey is RNYBMGGWZBZXAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3S/c1-9-6-12(11(7-14)10(2)16-9)15-8-13(17-3)4-5-13/h6H,4-5,8H2,1-3H3,(H,15,16).
What are the key properties of 2,6-dimethyl-4-[(1-methylsulfanylcyclopropyl)methylamino]pyridine-3-carbonitrile?
2,6-dimethyl-4-[(1-methylsulfanylcyclopropyl)methylamino]pyridine-3-carbonitrile has a molecular weight of 247.37 g/mol, XLogP of 2.88, 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-[(1-methylsulfanylcyclopropyl)methylamino]pyridine-3-carbonitrile is sourced from PubChem (CID 107268896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).