4,6-dimethyl-2-[(2-methyl-1-thiophen-2-ylpropyl)amino]pyridine-3-carbonitrile

C16H19N3S — CID 60667183

IUPAC4,6-dimethyl-2-[(2-methyl-1-thiophen-2-ylpropyl)amino]pyridine-3-carbonitrile
SMILESCc1cc(C)c(C#N)c(NC(c2cccs2)C(C)C)n1
InChIInChI=1S/C16H19N3S/c1-10(2)15(14-6-5-7-20-14)19-16-13(9-17)11(3)8-12(4)18-16/h5-8,10,15H,1-4H3,(H,18,19)
InChIKeyKCOXXZAPIOOGJT-UHFFFAOYSA-N
MW285.42 g/mol
LogP4.44
Rot. Bonds4

About 4,6-dimethyl-2-[(2-methyl-1-thiophen-2-ylpropyl)amino]pyridine-3-carbonitrile

4,6-dimethyl-2-[(2-methyl-1-thiophen-2-ylpropyl)amino]pyridine-3-carbonitrile (PubChem CID 60667183) has the molecular formula C16H19N3S and a molecular weight of 285.42 g/mol. Its IUPAC name is 4,6-dimethyl-2-[(2-methyl-1-thiophen-2-ylpropyl)amino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4,6-dimethyl-2-[(2-methyl-1-thiophen-2-ylpropyl)amino]pyridine-3-carbonitrile
PubChem CID60667183
Molecular FormulaC16H19N3S
Molecular Weight285.42 g/mol
Exact Mass285.13
IUPAC Name4,6-dimethyl-2-[(2-methyl-1-thiophen-2-ylpropyl)amino]pyridine-3-carbonitrile
SMILESCc1cc(C)c(C#N)c(NC(c2cccs2)C(C)C)n1
InChIInChI=1S/C16H19N3S/c1-10(2)15(14-6-5-7-20-14)19-16-13(9-17)11(3)8-12(4)18-16/h5-8,10,15H,1-4H3,(H,18,19)
InChIKeyKCOXXZAPIOOGJT-UHFFFAOYSA-N
XLogP4.44
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.42
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-Piperidinyl)-6-(2-thienyl)-4-(trifluoromethyl)-3-pyridinecarbonitrile
CID 2726260
2-Amino-4,6-di(2-thienyl)nicotinonitrile
CID 2817024
2-Amino-4-phenyl-6-thiophen-2-yl-nicotinonitrile
CID 10423637
2-Amino-4-thiophen-2-yl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 750693
2-(Dimethylamino)-6-(2-thienyl)-4-(trifluoromethyl)nicotinonitrile
CID 2726258
2-Amino-6-phenyl-4-thiophen-2-yl-nicotinonitrile
CID 3355253
2-Amino-6-(4-fluoro-phenyl)-5-methyl-4-thiophen-2-yl-nicotinonitrile
CID 936317
2-(Methylamino)-6-thiophen-2-yl-4-(trifluoromethyl)-3-pyridinecarbonitrile
CID 2726257
2-Amino-4-(5-butylthiophen-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 1912665
3-[6-(Thiophen-2-ylmethylamino)pyrimidin-4-yl]benzonitrile
CID 3234840
(1S,3S)-N1-(4-methylquinolin-2-yl)-N3-(thiophen-3-ylmethyl)cyclohexane-1,3-diamine
CID 44442064
2-Amino-6-(2-hydroxyethylamino)-4-thiophen-2-ylpyridine-3,5-dicarbonitrile
CID 155547715

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-2-[(2-methyl-1-thiophen-2-ylpropyl)amino]pyridine-3-carbonitrile?
The IUPAC name of 4,6-dimethyl-2-[(2-methyl-1-thiophen-2-ylpropyl)amino]pyridine-3-carbonitrile (CID 60667183) is 4,6-dimethyl-2-[(2-methyl-1-thiophen-2-ylpropyl)amino]pyridine-3-carbonitrile.
What is the SMILES notation for 4,6-dimethyl-2-[(2-methyl-1-thiophen-2-ylpropyl)amino]pyridine-3-carbonitrile?
The canonical SMILES for 4,6-dimethyl-2-[(2-methyl-1-thiophen-2-ylpropyl)amino]pyridine-3-carbonitrile is Cc1cc(C)c(C#N)c(NC(c2cccs2)C(C)C)n1.
What is the InChIKey of 4,6-dimethyl-2-[(2-methyl-1-thiophen-2-ylpropyl)amino]pyridine-3-carbonitrile?
The InChIKey is KCOXXZAPIOOGJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3S/c1-10(2)15(14-6-5-7-20-14)19-16-13(9-17)11(3)8-12(4)18-16/h5-8,10,15H,1-4H3,(H,18,19).
What are the key properties of 4,6-dimethyl-2-[(2-methyl-1-thiophen-2-ylpropyl)amino]pyridine-3-carbonitrile?
4,6-dimethyl-2-[(2-methyl-1-thiophen-2-ylpropyl)amino]pyridine-3-carbonitrile has a molecular weight of 285.42 g/mol, XLogP of 4.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-2-[(2-methyl-1-thiophen-2-ylpropyl)amino]pyridine-3-carbonitrile is sourced from PubChem (CID 60667183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).