4-[1-(2,5-dimethylfuran-3-yl)ethylamino]-2,6-dimethylpyridine-3-carbonitrile

C16H19N3O — CID 81042486

IUPAC4-[1-(2,5-dimethylfuran-3-yl)ethylamino]-2,6-dimethylpyridine-3-carbonitrile
SMILESCc1cc(NC(C)c2cc(C)oc2C)c(C#N)c(C)n1
InChIInChI=1S/C16H19N3O/c1-9-6-16(15(8-17)12(4)18-9)19-11(3)14-7-10(2)20-13(14)5/h6-7,11H,1-5H3,(H,18,19)
InChIKeyDIAGPHSSMLCNDS-UHFFFAOYSA-N
MW269.35 g/mol
LogP3.95
Rot. Bonds3

About 4-[1-(2,5-dimethylfuran-3-yl)ethylamino]-2,6-dimethylpyridine-3-carbonitrile

4-[1-(2,5-dimethylfuran-3-yl)ethylamino]-2,6-dimethylpyridine-3-carbonitrile (PubChem CID 81042486) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 4-[1-(2,5-dimethylfuran-3-yl)ethylamino]-2,6-dimethylpyridine-3-carbonitrile.

Molecular Properties

Compound Name4-[1-(2,5-dimethylfuran-3-yl)ethylamino]-2,6-dimethylpyridine-3-carbonitrile
PubChem CID81042486
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name4-[1-(2,5-dimethylfuran-3-yl)ethylamino]-2,6-dimethylpyridine-3-carbonitrile
SMILESCc1cc(NC(C)c2cc(C)oc2C)c(C#N)c(C)n1
InChIInChI=1S/C16H19N3O/c1-9-6-16(15(8-17)12(4)18-9)19-11(3)14-7-10(2)20-13(14)5/h6-7,11H,1-5H3,(H,18,19)
InChIKeyDIAGPHSSMLCNDS-UHFFFAOYSA-N
XLogP3.95
TPSA61.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(2,5-dimethylfuran-3-yl)ethylamino]-2,6-dimethylpyridine-3-carbonitrile?
The IUPAC name of 4-[1-(2,5-dimethylfuran-3-yl)ethylamino]-2,6-dimethylpyridine-3-carbonitrile (CID 81042486) is 4-[1-(2,5-dimethylfuran-3-yl)ethylamino]-2,6-dimethylpyridine-3-carbonitrile.
What is the SMILES notation for 4-[1-(2,5-dimethylfuran-3-yl)ethylamino]-2,6-dimethylpyridine-3-carbonitrile?
The canonical SMILES for 4-[1-(2,5-dimethylfuran-3-yl)ethylamino]-2,6-dimethylpyridine-3-carbonitrile is Cc1cc(NC(C)c2cc(C)oc2C)c(C#N)c(C)n1.
What is the InChIKey of 4-[1-(2,5-dimethylfuran-3-yl)ethylamino]-2,6-dimethylpyridine-3-carbonitrile?
The InChIKey is DIAGPHSSMLCNDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-9-6-16(15(8-17)12(4)18-9)19-11(3)14-7-10(2)20-13(14)5/h6-7,11H,1-5H3,(H,18,19).
What are the key properties of 4-[1-(2,5-dimethylfuran-3-yl)ethylamino]-2,6-dimethylpyridine-3-carbonitrile?
4-[1-(2,5-dimethylfuran-3-yl)ethylamino]-2,6-dimethylpyridine-3-carbonitrile has a molecular weight of 269.35 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2,5-dimethylfuran-3-yl)ethylamino]-2,6-dimethylpyridine-3-carbonitrile is sourced from PubChem (CID 81042486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).