2-amino-4-(dimethylamino)pyridine-3-carbonitrile

C8H10N4 — CID 13438873

IUPAC2-amino-4-(dimethylamino)pyridine-3-carbonitrile
SMILESCN(C)c1ccnc(N)c1C#N
InChIInChI=1S/C8H10N4/c1-12(2)7-3-4-11-8(10)6(7)5-9/h3-4H,1-2H3,(H2,10,11)
InChIKeyJYHDOIVCIUAVJQ-UHFFFAOYSA-N
MW162.20 g/mol
LogP0.60
Rot. Bonds1

About 2-amino-4-(dimethylamino)pyridine-3-carbonitrile

2-amino-4-(dimethylamino)pyridine-3-carbonitrile (PubChem CID 13438873) has the molecular formula C8H10N4 and a molecular weight of 162.20 g/mol. Its IUPAC name is 2-amino-4-(dimethylamino)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(dimethylamino)pyridine-3-carbonitrile
PubChem CID13438873
Molecular FormulaC8H10N4
Molecular Weight162.20 g/mol
Exact Mass162.09
IUPAC Name2-amino-4-(dimethylamino)pyridine-3-carbonitrile
SMILESCN(C)c1ccnc(N)c1C#N
InChIInChI=1S/C8H10N4/c1-12(2)7-3-4-11-8(10)6(7)5-9/h3-4H,1-2H3,(H2,10,11)
InChIKeyJYHDOIVCIUAVJQ-UHFFFAOYSA-N
XLogP0.60
TPSA65.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.20
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(dimethylamino)pyridine-3-carbonitrile?
The IUPAC name of 2-amino-4-(dimethylamino)pyridine-3-carbonitrile (CID 13438873) is 2-amino-4-(dimethylamino)pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-4-(dimethylamino)pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-4-(dimethylamino)pyridine-3-carbonitrile is CN(C)c1ccnc(N)c1C#N.
What is the InChIKey of 2-amino-4-(dimethylamino)pyridine-3-carbonitrile?
The InChIKey is JYHDOIVCIUAVJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4/c1-12(2)7-3-4-11-8(10)6(7)5-9/h3-4H,1-2H3,(H2,10,11).
What are the key properties of 2-amino-4-(dimethylamino)pyridine-3-carbonitrile?
2-amino-4-(dimethylamino)pyridine-3-carbonitrile has a molecular weight of 162.20 g/mol, XLogP of 0.60, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(dimethylamino)pyridine-3-carbonitrile is sourced from PubChem (CID 13438873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).