2-(3-cyano-4-methyl-6-oxo-1H-pyridin-2-yl)propanedinitrile

C10H6N4O — CID 593433

IUPAC2-(3-cyano-4-methyl-6-oxo-1H-pyridin-2-yl)propanedinitrile
SMILESCc1cc(=O)[nH]c(C(C#N)C#N)c1C#N
InChIInChI=1S/C10H6N4O/c1-6-2-9(15)14-10(8(6)5-13)7(3-11)4-12/h2,7H,1H3,(H,14,15)
InChIKeySNJXPHCXMVJWDF-UHFFFAOYSA-N
MW198.18 g/mol
LogP0.69
Rot. Bonds1

About 2-(3-cyano-4-methyl-6-oxo-1H-pyridin-2-yl)propanedinitrile

2-(3-cyano-4-methyl-6-oxo-1H-pyridin-2-yl)propanedinitrile (PubChem CID 593433) has the molecular formula C10H6N4O and a molecular weight of 198.18 g/mol. Its IUPAC name is 2-(3-cyano-4-methyl-6-oxo-1H-pyridin-2-yl)propanedinitrile.

Molecular Properties

Compound Name2-(3-cyano-4-methyl-6-oxo-1H-pyridin-2-yl)propanedinitrile
PubChem CID593433
Molecular FormulaC10H6N4O
Molecular Weight198.18 g/mol
Exact Mass198.05
IUPAC Name2-(3-cyano-4-methyl-6-oxo-1H-pyridin-2-yl)propanedinitrile
SMILESCc1cc(=O)[nH]c(C(C#N)C#N)c1C#N
InChIInChI=1S/C10H6N4O/c1-6-2-9(15)14-10(8(6)5-13)7(3-11)4-12/h2,7H,1H3,(H,14,15)
InChIKeySNJXPHCXMVJWDF-UHFFFAOYSA-N
XLogP0.69
TPSA104.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.18
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-cyano-4-methyl-6-oxo-1H-pyridin-2-yl)propanedinitrile?
The IUPAC name of 2-(3-cyano-4-methyl-6-oxo-1H-pyridin-2-yl)propanedinitrile (CID 593433) is 2-(3-cyano-4-methyl-6-oxo-1H-pyridin-2-yl)propanedinitrile.
What is the SMILES notation for 2-(3-cyano-4-methyl-6-oxo-1H-pyridin-2-yl)propanedinitrile?
The canonical SMILES for 2-(3-cyano-4-methyl-6-oxo-1H-pyridin-2-yl)propanedinitrile is Cc1cc(=O)[nH]c(C(C#N)C#N)c1C#N.
What is the InChIKey of 2-(3-cyano-4-methyl-6-oxo-1H-pyridin-2-yl)propanedinitrile?
The InChIKey is SNJXPHCXMVJWDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6N4O/c1-6-2-9(15)14-10(8(6)5-13)7(3-11)4-12/h2,7H,1H3,(H,14,15).
What are the key properties of 2-(3-cyano-4-methyl-6-oxo-1H-pyridin-2-yl)propanedinitrile?
2-(3-cyano-4-methyl-6-oxo-1H-pyridin-2-yl)propanedinitrile has a molecular weight of 198.18 g/mol, XLogP of 0.69, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyano-4-methyl-6-oxo-1H-pyridin-2-yl)propanedinitrile is sourced from PubChem (CID 593433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).