5-amino-6-[1-(2,5-dimethylfuran-3-yl)ethylamino]pyridine-3-carbonitrile

C14H16N4O — CID 103468095

IUPAC5-amino-6-[1-(2,5-dimethylfuran-3-yl)ethylamino]pyridine-3-carbonitrile
SMILESCc1cc(C(C)Nc2ncc(C#N)cc2N)c(C)o1
InChIInChI=1S/C14H16N4O/c1-8-4-12(10(3)19-8)9(2)18-14-13(16)5-11(6-15)7-17-14/h4-5,7,9H,16H2,1-3H3,(H,17,18)
InChIKeyOMEZIKKDUMPLJY-UHFFFAOYSA-N
MW256.31 g/mol
LogP2.92
Rot. Bonds3

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

5-amino-6-[1-(2,5-dimethylfuran-3-yl)ethylamino]pyridine-3-carbonitrile (PubChem CID 103468095) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is 5-amino-6-[1-(2,5-dimethylfuran-3-yl)ethylamino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-amino-6-[1-(2,5-dimethylfuran-3-yl)ethylamino]pyridine-3-carbonitrile
PubChem CID103468095
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC Name5-amino-6-[1-(2,5-dimethylfuran-3-yl)ethylamino]pyridine-3-carbonitrile
SMILESCc1cc(C(C)Nc2ncc(C#N)cc2N)c(C)o1
InChIInChI=1S/C14H16N4O/c1-8-4-12(10(3)19-8)9(2)18-14-13(16)5-11(6-15)7-17-14/h4-5,7,9H,16H2,1-3H3,(H,17,18)
InChIKeyOMEZIKKDUMPLJY-UHFFFAOYSA-N
XLogP2.92
TPSA87.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-6-[1-(2,5-dimethylfuran-3-yl)ethylamino]pyridine-3-carbonitrile?
The IUPAC name of 5-amino-6-[1-(2,5-dimethylfuran-3-yl)ethylamino]pyridine-3-carbonitrile (CID 103468095) is 5-amino-6-[1-(2,5-dimethylfuran-3-yl)ethylamino]pyridine-3-carbonitrile.
What is the SMILES notation for 5-amino-6-[1-(2,5-dimethylfuran-3-yl)ethylamino]pyridine-3-carbonitrile?
The canonical SMILES for 5-amino-6-[1-(2,5-dimethylfuran-3-yl)ethylamino]pyridine-3-carbonitrile is Cc1cc(C(C)Nc2ncc(C#N)cc2N)c(C)o1.
What is the InChIKey of 5-amino-6-[1-(2,5-dimethylfuran-3-yl)ethylamino]pyridine-3-carbonitrile?
The InChIKey is OMEZIKKDUMPLJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O/c1-8-4-12(10(3)19-8)9(2)18-14-13(16)5-11(6-15)7-17-14/h4-5,7,9H,16H2,1-3H3,(H,17,18).
What are the key properties of 5-amino-6-[1-(2,5-dimethylfuran-3-yl)ethylamino]pyridine-3-carbonitrile?
5-amino-6-[1-(2,5-dimethylfuran-3-yl)ethylamino]pyridine-3-carbonitrile has a molecular weight of 256.31 g/mol, XLogP of 2.92, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-[1-(2,5-dimethylfuran-3-yl)ethylamino]pyridine-3-carbonitrile is sourced from PubChem (CID 103468095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).