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

C8H9N3O — CID 1488700

IUPAC4-(dimethylamino)-2-oxo-1H-pyridine-3-carbonitrile
SMILESCN(C)c1cc[nH]c(=O)c1C#N
InChIInChI=1S/C8H9N3O/c1-11(2)7-3-4-10-8(12)6(7)5-9/h3-4H,1-2H3,(H,10,12)
InChIKeyHLCZCBPPRBHVIE-UHFFFAOYSA-N
MW163.18 g/mol
LogP0.31
Rot. Bonds1

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

4-(dimethylamino)-2-oxo-1H-pyridine-3-carbonitrile (PubChem CID 1488700) has the molecular formula C8H9N3O and a molecular weight of 163.18 g/mol. Its IUPAC name is 4-(dimethylamino)-2-oxo-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(dimethylamino)-2-oxo-1H-pyridine-3-carbonitrile
PubChem CID1488700
Molecular FormulaC8H9N3O
Molecular Weight163.18 g/mol
Exact Mass163.07
IUPAC Name4-(dimethylamino)-2-oxo-1H-pyridine-3-carbonitrile
SMILESCN(C)c1cc[nH]c(=O)c1C#N
InChIInChI=1S/C8H9N3O/c1-11(2)7-3-4-10-8(12)6(7)5-9/h3-4H,1-2H3,(H,10,12)
InChIKeyHLCZCBPPRBHVIE-UHFFFAOYSA-N
XLogP0.31
TPSA59.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.18
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-Pyridinecarbonitrile, 1,2-dihydro-4-(dimethylamino)-6-methyl-2-oxo-
CID 660920
4-Methyl-2-oxo-1,2-dihydropyridine-3-carbonitrile
CID 10606782
4-(Ethylamino)-6-methyl-2-oxo-1,2-dihydro-3-pyridinecarbonitrile
CID 12913241
4-Amino-2-hydroxynicotinonitrile
CID 18451643
4-Amino-3-methylpyridin-2-ol
CID 67227297
4-Ethyl-2-oxo-1,2-dihydropyridine-3-carbonitrile
CID 84107149
4-amino-3-cyano-N-methyl-2-pyridone
CID 14148539
3-Cyano-4-methylamino-2-pyridone
CID 45079504
3-Cyano-4-isopropylamino-2-pyridone
CID 129784138
6-Methyl-4-(methylamino)-2-oxo-1,2-dihydropyridine-3-carbonitrile
CID 12046761
6-Amino-1-methyl-4-(methylamino)-2-oxopyridine-3-carbonitrile
CID 12296766
6-[(E)-2-(dimethylamino)ethenyl]-2-oxo-1H-pyridine-3-carbonitrile
CID 20254846

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-2-oxo-1H-pyridine-3-carbonitrile?
The IUPAC name of 4-(dimethylamino)-2-oxo-1H-pyridine-3-carbonitrile (CID 1488700) is 4-(dimethylamino)-2-oxo-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 4-(dimethylamino)-2-oxo-1H-pyridine-3-carbonitrile?
The canonical SMILES for 4-(dimethylamino)-2-oxo-1H-pyridine-3-carbonitrile is CN(C)c1cc[nH]c(=O)c1C#N.
What is the InChIKey of 4-(dimethylamino)-2-oxo-1H-pyridine-3-carbonitrile?
The InChIKey is HLCZCBPPRBHVIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O/c1-11(2)7-3-4-10-8(12)6(7)5-9/h3-4H,1-2H3,(H,10,12).
What are the key properties of 4-(dimethylamino)-2-oxo-1H-pyridine-3-carbonitrile?
4-(dimethylamino)-2-oxo-1H-pyridine-3-carbonitrile has a molecular weight of 163.18 g/mol, XLogP of 0.31, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-2-oxo-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 1488700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).