4-amino-2-(dimethylamino)-6-oxo-1H-pyridine-3-carbonitrile

C8H10N4O — CID 165451117

IUPAC4-amino-2-(dimethylamino)-6-oxo-1H-pyridine-3-carbonitrile
SMILESCN(C)c1[nH]c(=O)cc(N)c1C#N
InChIInChI=1S/C8H10N4O/c1-12(2)8-5(4-9)6(10)3-7(13)11-8/h3H,1-2H3,(H3,10,11,13)
InChIKeyZQFRWAOLWZFXRH-UHFFFAOYSA-N
MW178.19 g/mol
LogP-0.11
Rot. Bonds1

About 4-amino-2-(dimethylamino)-6-oxo-1H-pyridine-3-carbonitrile

4-amino-2-(dimethylamino)-6-oxo-1H-pyridine-3-carbonitrile (PubChem CID 165451117) has the molecular formula C8H10N4O and a molecular weight of 178.19 g/mol. Its IUPAC name is 4-amino-2-(dimethylamino)-6-oxo-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-amino-2-(dimethylamino)-6-oxo-1H-pyridine-3-carbonitrile
PubChem CID165451117
Molecular FormulaC8H10N4O
Molecular Weight178.19 g/mol
Exact Mass178.09
IUPAC Name4-amino-2-(dimethylamino)-6-oxo-1H-pyridine-3-carbonitrile
SMILESCN(C)c1[nH]c(=O)cc(N)c1C#N
InChIInChI=1S/C8H10N4O/c1-12(2)8-5(4-9)6(10)3-7(13)11-8/h3H,1-2H3,(H3,10,11,13)
InChIKeyZQFRWAOLWZFXRH-UHFFFAOYSA-N
XLogP-0.11
TPSA85.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(dimethylamino)-6-oxo-1H-pyridine-3-carbonitrile?
The IUPAC name of 4-amino-2-(dimethylamino)-6-oxo-1H-pyridine-3-carbonitrile (CID 165451117) is 4-amino-2-(dimethylamino)-6-oxo-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 4-amino-2-(dimethylamino)-6-oxo-1H-pyridine-3-carbonitrile?
The canonical SMILES for 4-amino-2-(dimethylamino)-6-oxo-1H-pyridine-3-carbonitrile is CN(C)c1[nH]c(=O)cc(N)c1C#N.
What is the InChIKey of 4-amino-2-(dimethylamino)-6-oxo-1H-pyridine-3-carbonitrile?
The InChIKey is ZQFRWAOLWZFXRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O/c1-12(2)8-5(4-9)6(10)3-7(13)11-8/h3H,1-2H3,(H3,10,11,13).
What are the key properties of 4-amino-2-(dimethylamino)-6-oxo-1H-pyridine-3-carbonitrile?
4-amino-2-(dimethylamino)-6-oxo-1H-pyridine-3-carbonitrile has a molecular weight of 178.19 g/mol, XLogP of -0.11, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(dimethylamino)-6-oxo-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 165451117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).