4,6-dimethyl-2-oxo-1H-pyridine-3-carbonitrile;3-pyrrol-1-ylpropanenitrile

C15H16N4O — CID 67925609

IUPAC4,6-dimethyl-2-oxo-1H-pyridine-3-carbonitrile;3-pyrrol-1-ylpropanenitrile
SMILESCc1cc(C)c(C#N)c(=O)[nH]1.N#CCCn1cccc1
InChIInChI=1S/C8H8N2O.C7H8N2/c1-5-3-6(2)10-8(11)7(5)4-9;8-4-3-7-9-5-1-2-6-9/h3H,1-2H3,(H,10,11);1-2,5-6H,3,7H2
InChIKeyQYAOECMEWQWDBJ-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.27
Rot. Bonds2

About 4,6-dimethyl-2-oxo-1H-pyridine-3-carbonitrile;3-pyrrol-1-ylpropanenitrile

4,6-dimethyl-2-oxo-1H-pyridine-3-carbonitrile;3-pyrrol-1-ylpropanenitrile (PubChem CID 67925609) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is 4,6-dimethyl-2-oxo-1H-pyridine-3-carbonitrile;3-pyrrol-1-ylpropanenitrile.

Molecular Properties

Compound Name4,6-dimethyl-2-oxo-1H-pyridine-3-carbonitrile;3-pyrrol-1-ylpropanenitrile
PubChem CID67925609
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC Name4,6-dimethyl-2-oxo-1H-pyridine-3-carbonitrile;3-pyrrol-1-ylpropanenitrile
SMILESCc1cc(C)c(C#N)c(=O)[nH]1.N#CCCn1cccc1
InChIInChI=1S/C8H8N2O.C7H8N2/c1-5-3-6(2)10-8(11)7(5)4-9;8-4-3-7-9-5-1-2-6-9/h3H,1-2H3,(H,10,11);1-2,5-6H,3,7H2
InChIKeyQYAOECMEWQWDBJ-UHFFFAOYSA-N
XLogP2.27
TPSA85.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-2-oxo-1H-pyridine-3-carbonitrile;3-pyrrol-1-ylpropanenitrile?
The IUPAC name of 4,6-dimethyl-2-oxo-1H-pyridine-3-carbonitrile;3-pyrrol-1-ylpropanenitrile (CID 67925609) is 4,6-dimethyl-2-oxo-1H-pyridine-3-carbonitrile;3-pyrrol-1-ylpropanenitrile.
What is the SMILES notation for 4,6-dimethyl-2-oxo-1H-pyridine-3-carbonitrile;3-pyrrol-1-ylpropanenitrile?
The canonical SMILES for 4,6-dimethyl-2-oxo-1H-pyridine-3-carbonitrile;3-pyrrol-1-ylpropanenitrile is Cc1cc(C)c(C#N)c(=O)[nH]1.N#CCCn1cccc1.
What is the InChIKey of 4,6-dimethyl-2-oxo-1H-pyridine-3-carbonitrile;3-pyrrol-1-ylpropanenitrile?
The InChIKey is QYAOECMEWQWDBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O.C7H8N2/c1-5-3-6(2)10-8(11)7(5)4-9;8-4-3-7-9-5-1-2-6-9/h3H,1-2H3,(H,10,11);1-2,5-6H,3,7H2.
What are the key properties of 4,6-dimethyl-2-oxo-1H-pyridine-3-carbonitrile;3-pyrrol-1-ylpropanenitrile?
4,6-dimethyl-2-oxo-1H-pyridine-3-carbonitrile;3-pyrrol-1-ylpropanenitrile has a molecular weight of 268.32 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-2-oxo-1H-pyridine-3-carbonitrile;3-pyrrol-1-ylpropanenitrile is sourced from PubChem (CID 67925609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).