2-amino-4-(cyanomethyl)-6-(dimethylamino)pyridine-3,5-dicarbonitrile

C11H10N6 — CID 4263354

IUPAC2-amino-4-(cyanomethyl)-6-(dimethylamino)pyridine-3,5-dicarbonitrile
SMILESCN(C)c1nc(N)c(C#N)c(CC#N)c1C#N
InChIInChI=1S/C11H10N6/c1-17(2)11-9(6-14)7(3-4-12)8(5-13)10(15)16-11/h3H2,1-2H3,(H2,15,16)
InChIKeyGCZMWBMEDNNMGG-UHFFFAOYSA-N
MW226.24 g/mol
LogP0.54
Rot. Bonds2

About 2-amino-4-(cyanomethyl)-6-(dimethylamino)pyridine-3,5-dicarbonitrile

2-amino-4-(cyanomethyl)-6-(dimethylamino)pyridine-3,5-dicarbonitrile (PubChem CID 4263354) has the molecular formula C11H10N6 and a molecular weight of 226.24 g/mol. Its IUPAC name is 2-amino-4-(cyanomethyl)-6-(dimethylamino)pyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2-amino-4-(cyanomethyl)-6-(dimethylamino)pyridine-3,5-dicarbonitrile
PubChem CID4263354
Molecular FormulaC11H10N6
Molecular Weight226.24 g/mol
Exact Mass226.10
IUPAC Name2-amino-4-(cyanomethyl)-6-(dimethylamino)pyridine-3,5-dicarbonitrile
SMILESCN(C)c1nc(N)c(C#N)c(CC#N)c1C#N
InChIInChI=1S/C11H10N6/c1-17(2)11-9(6-14)7(3-4-12)8(5-13)10(15)16-11/h3H2,1-2H3,(H2,15,16)
InChIKeyGCZMWBMEDNNMGG-UHFFFAOYSA-N
XLogP0.54
TPSA113.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(cyanomethyl)-6-(dimethylamino)pyridine-3,5-dicarbonitrile?
The IUPAC name of 2-amino-4-(cyanomethyl)-6-(dimethylamino)pyridine-3,5-dicarbonitrile (CID 4263354) is 2-amino-4-(cyanomethyl)-6-(dimethylamino)pyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2-amino-4-(cyanomethyl)-6-(dimethylamino)pyridine-3,5-dicarbonitrile?
The canonical SMILES for 2-amino-4-(cyanomethyl)-6-(dimethylamino)pyridine-3,5-dicarbonitrile is CN(C)c1nc(N)c(C#N)c(CC#N)c1C#N.
What is the InChIKey of 2-amino-4-(cyanomethyl)-6-(dimethylamino)pyridine-3,5-dicarbonitrile?
The InChIKey is GCZMWBMEDNNMGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N6/c1-17(2)11-9(6-14)7(3-4-12)8(5-13)10(15)16-11/h3H2,1-2H3,(H2,15,16).
What are the key properties of 2-amino-4-(cyanomethyl)-6-(dimethylamino)pyridine-3,5-dicarbonitrile?
2-amino-4-(cyanomethyl)-6-(dimethylamino)pyridine-3,5-dicarbonitrile has a molecular weight of 226.24 g/mol, XLogP of 0.54, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(cyanomethyl)-6-(dimethylamino)pyridine-3,5-dicarbonitrile is sourced from PubChem (CID 4263354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).