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

C9H11N3O — CID 12913241

IUPAC4-(ethylamino)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
SMILESCCNc1cc(C)[nH]c(=O)c1C#N
InChIInChI=1S/C9H11N3O/c1-3-11-8-4-6(2)12-9(13)7(8)5-10/h4H,3H2,1-2H3,(H2,11,12,13)
InChIKeyABZVNGXLLUFUQL-UHFFFAOYSA-N
MW177.21 g/mol
LogP0.99
Rot. Bonds2

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

4-(ethylamino)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile (PubChem CID 12913241) has the molecular formula C9H11N3O and a molecular weight of 177.21 g/mol. Its IUPAC name is 4-(ethylamino)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(ethylamino)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
PubChem CID12913241
Molecular FormulaC9H11N3O
Molecular Weight177.21 g/mol
Exact Mass177.09
IUPAC Name4-(ethylamino)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
SMILESCCNc1cc(C)[nH]c(=O)c1C#N
InChIInChI=1S/C9H11N3O/c1-3-11-8-4-6(2)12-9(13)7(8)5-10/h4H,3H2,1-2H3,(H2,11,12,13)
InChIKeyABZVNGXLLUFUQL-UHFFFAOYSA-N
XLogP0.99
TPSA68.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.21
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(ethylamino)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile?
The IUPAC name of 4-(ethylamino)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile (CID 12913241) is 4-(ethylamino)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 4-(ethylamino)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile?
The canonical SMILES for 4-(ethylamino)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile is CCNc1cc(C)[nH]c(=O)c1C#N.
What is the InChIKey of 4-(ethylamino)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile?
The InChIKey is ABZVNGXLLUFUQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O/c1-3-11-8-4-6(2)12-9(13)7(8)5-10/h4H,3H2,1-2H3,(H2,11,12,13).
What are the key properties of 4-(ethylamino)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile?
4-(ethylamino)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile has a molecular weight of 177.21 g/mol, XLogP of 0.99, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylamino)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 12913241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).