6-methyl-4-(methylamino)-2-oxo-1H-pyridine-3-carbonitrile

C8H9N3O — CID 12046761

IUPAC6-methyl-4-(methylamino)-2-oxo-1H-pyridine-3-carbonitrile
SMILESCNc1cc(C)[nH]c(=O)c1C#N
InChIInChI=1S/C8H9N3O/c1-5-3-7(10-2)6(4-9)8(12)11-5/h3H,1-2H3,(H2,10,11,12)
InChIKeyNLYGQKUIQPJEHU-UHFFFAOYSA-N
MW163.18 g/mol
LogP0.60
Rot. Bonds1

About 6-methyl-4-(methylamino)-2-oxo-1H-pyridine-3-carbonitrile

6-methyl-4-(methylamino)-2-oxo-1H-pyridine-3-carbonitrile (PubChem CID 12046761) has the molecular formula C8H9N3O and a molecular weight of 163.18 g/mol. Its IUPAC name is 6-methyl-4-(methylamino)-2-oxo-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-methyl-4-(methylamino)-2-oxo-1H-pyridine-3-carbonitrile
PubChem CID12046761
Molecular FormulaC8H9N3O
Molecular Weight163.18 g/mol
Exact Mass163.07
IUPAC Name6-methyl-4-(methylamino)-2-oxo-1H-pyridine-3-carbonitrile
SMILESCNc1cc(C)[nH]c(=O)c1C#N
InChIInChI=1S/C8H9N3O/c1-5-3-7(10-2)6(4-9)8(12)11-5/h3H,1-2H3,(H2,10,11,12)
InChIKeyNLYGQKUIQPJEHU-UHFFFAOYSA-N
XLogP0.60
TPSA68.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.18
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-(methylamino)-2-oxo-1H-pyridine-3-carbonitrile?
The IUPAC name of 6-methyl-4-(methylamino)-2-oxo-1H-pyridine-3-carbonitrile (CID 12046761) is 6-methyl-4-(methylamino)-2-oxo-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 6-methyl-4-(methylamino)-2-oxo-1H-pyridine-3-carbonitrile?
The canonical SMILES for 6-methyl-4-(methylamino)-2-oxo-1H-pyridine-3-carbonitrile is CNc1cc(C)[nH]c(=O)c1C#N.
What is the InChIKey of 6-methyl-4-(methylamino)-2-oxo-1H-pyridine-3-carbonitrile?
The InChIKey is NLYGQKUIQPJEHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O/c1-5-3-7(10-2)6(4-9)8(12)11-5/h3H,1-2H3,(H2,10,11,12).
What are the key properties of 6-methyl-4-(methylamino)-2-oxo-1H-pyridine-3-carbonitrile?
6-methyl-4-(methylamino)-2-oxo-1H-pyridine-3-carbonitrile has a molecular weight of 163.18 g/mol, XLogP of 0.60, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-(methylamino)-2-oxo-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 12046761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).