1,6-dimethyl-2-oxo-4-pyridin-3-ylpyridine-3-carbonitrile

C13H11N3O — CID 82080782

IUPAC1,6-dimethyl-2-oxo-4-pyridin-3-ylpyridine-3-carbonitrile
SMILESCc1cc(-c2cccnc2)c(C#N)c(=O)n1C
InChIInChI=1S/C13H11N3O/c1-9-6-11(10-4-3-5-15-8-10)12(7-14)13(17)16(9)2/h3-6,8H,1-2H3
InChIKeyFMVSVEPJKGWQDC-UHFFFAOYSA-N
MW225.25 g/mol
LogP1.63
Rot. Bonds1

About 1,6-dimethyl-2-oxo-4-pyridin-3-ylpyridine-3-carbonitrile

1,6-dimethyl-2-oxo-4-pyridin-3-ylpyridine-3-carbonitrile (PubChem CID 82080782) has the molecular formula C13H11N3O and a molecular weight of 225.25 g/mol. Its IUPAC name is 1,6-dimethyl-2-oxo-4-pyridin-3-ylpyridine-3-carbonitrile.

Molecular Properties

Compound Name1,6-dimethyl-2-oxo-4-pyridin-3-ylpyridine-3-carbonitrile
PubChem CID82080782
Molecular FormulaC13H11N3O
Molecular Weight225.25 g/mol
Exact Mass225.09
IUPAC Name1,6-dimethyl-2-oxo-4-pyridin-3-ylpyridine-3-carbonitrile
SMILESCc1cc(-c2cccnc2)c(C#N)c(=O)n1C
InChIInChI=1S/C13H11N3O/c1-9-6-11(10-4-3-5-15-8-10)12(7-14)13(17)16(9)2/h3-6,8H,1-2H3
InChIKeyFMVSVEPJKGWQDC-UHFFFAOYSA-N
XLogP1.63
TPSA58.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

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Related Compounds

1,6-dimethyl-4-(2-methylphenyl)-2-oxopyridine-3-carbonitrile
CID 82084066
1,2,5-trimethyl-4-pyridin-3-ylpyrrole-3-carbonitrile
CID 121495989
3,5-dipyridin-3-ylpyridine-4-carbonitrile
CID 46316354
2-(2-methoxyethyl)-5-methyl-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrile
CID 82565356
6-(4-methoxyphenyl)-2-oxo-4-pyridin-3-yl-1H-pyridine-3-carbonitrile
CID 724369
1,3-dimethyl-2-pyridin-3-ylindole-5-carbonitrile
CID 123248615
1-(4-fluorobenzoyl)-6-methyl-2-oxo-4-phenylpyridine-3-carbonitrile
CID 171984034
1-methyl-2-oxo-5-pyridin-3-yl-3H-indole-6-carbonitrile
CID 66793897
3-(2,5-dimethyl-4-pyridin-3-ylphenyl)pyridine
CID 155748097
2,6-difluoro-3-pyridin-3-ylbenzonitrile
CID 58731401
2-methyl-4-pyridin-3-yl-1H-pyrazol-5-one
CID 88992596
ethyl 5-cyano-6-oxo-2-pyridin-3-yl-1H-pyridine-3-carboxylate
CID 10038711

Frequently Asked Questions

What is the IUPAC name of 1,6-dimethyl-2-oxo-4-pyridin-3-ylpyridine-3-carbonitrile?
The IUPAC name of 1,6-dimethyl-2-oxo-4-pyridin-3-ylpyridine-3-carbonitrile (CID 82080782) is 1,6-dimethyl-2-oxo-4-pyridin-3-ylpyridine-3-carbonitrile.
What is the SMILES notation for 1,6-dimethyl-2-oxo-4-pyridin-3-ylpyridine-3-carbonitrile?
The canonical SMILES for 1,6-dimethyl-2-oxo-4-pyridin-3-ylpyridine-3-carbonitrile is Cc1cc(-c2cccnc2)c(C#N)c(=O)n1C.
What is the InChIKey of 1,6-dimethyl-2-oxo-4-pyridin-3-ylpyridine-3-carbonitrile?
The InChIKey is FMVSVEPJKGWQDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O/c1-9-6-11(10-4-3-5-15-8-10)12(7-14)13(17)16(9)2/h3-6,8H,1-2H3.
What are the key properties of 1,6-dimethyl-2-oxo-4-pyridin-3-ylpyridine-3-carbonitrile?
1,6-dimethyl-2-oxo-4-pyridin-3-ylpyridine-3-carbonitrile has a molecular weight of 225.25 g/mol, XLogP of 1.63, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dimethyl-2-oxo-4-pyridin-3-ylpyridine-3-carbonitrile is sourced from PubChem (CID 82080782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).