6-methyl-2-oxo-5-propyl-1H-pyridine-3,4-dicarbonitrile

C11H11N3O — CID 13468040

IUPAC6-methyl-2-oxo-5-propyl-1H-pyridine-3,4-dicarbonitrile
SMILESCCCc1c(C)[nH]c(=O)c(C#N)c1C#N
InChIInChI=1S/C11H11N3O/c1-3-4-8-7(2)14-11(15)10(6-13)9(8)5-12/h3-4H2,1-2H3,(H,14,15)
InChIKeyOXITWBSGITYRIH-UHFFFAOYSA-N
MW201.23 g/mol
LogP1.38
Rot. Bonds2

About 6-methyl-2-oxo-5-propyl-1H-pyridine-3,4-dicarbonitrile

6-methyl-2-oxo-5-propyl-1H-pyridine-3,4-dicarbonitrile (PubChem CID 13468040) has the molecular formula C11H11N3O and a molecular weight of 201.23 g/mol. Its IUPAC name is 6-methyl-2-oxo-5-propyl-1H-pyridine-3,4-dicarbonitrile.

Molecular Properties

Compound Name6-methyl-2-oxo-5-propyl-1H-pyridine-3,4-dicarbonitrile
PubChem CID13468040
Molecular FormulaC11H11N3O
Molecular Weight201.23 g/mol
Exact Mass201.09
IUPAC Name6-methyl-2-oxo-5-propyl-1H-pyridine-3,4-dicarbonitrile
SMILESCCCc1c(C)[nH]c(=O)c(C#N)c1C#N
InChIInChI=1S/C11H11N3O/c1-3-4-8-7(2)14-11(15)10(6-13)9(8)5-12/h3-4H2,1-2H3,(H,14,15)
InChIKeyOXITWBSGITYRIH-UHFFFAOYSA-N
XLogP1.38
TPSA80.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-Cyano-4,6-dimethyl-2-hydroxypyridine
CID 69856
5-Chloro-2-hydroxy-4,6-dimethylnicotinonitrile
CID 2781722
1-(2-Methylpropyl)-3-oxo-2,5,6,7-tetrahydrocyclopenta[d]pyridine-4-carbonitrile
CID 661524
3-Hydroxy-1-methyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
CID 1389675
2-oxo-1H,2H,5H,6H,7H-cyclopenta[b]pyridine-3-carbonitrile
CID 907352
1-Ethyl-3-oxo-2,3,5,6,7,8-hexahydroisoquinoline-4-carbonitrile
CID 658812
2-Hydroxy-4,5,6-trimethylnicotinonitrile
CID 642508
1-Isobutyl-3-oxo-2,3,5,6,7,8-hexahydroisoquinoline-4-carbonitrile
CID 660169
1-Butyl-3-hydroxy-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
CID 3773502
3-Hydroxy-1-propyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
CID 4365944
4-Cyano-2,3,5,6,7,8-hexahydro-1,7-dimethyl-3-oxoisoquinoline
CID 13632727
CID 44345369
CID 44345369

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-oxo-5-propyl-1H-pyridine-3,4-dicarbonitrile?
The IUPAC name of 6-methyl-2-oxo-5-propyl-1H-pyridine-3,4-dicarbonitrile (CID 13468040) is 6-methyl-2-oxo-5-propyl-1H-pyridine-3,4-dicarbonitrile.
What is the SMILES notation for 6-methyl-2-oxo-5-propyl-1H-pyridine-3,4-dicarbonitrile?
The canonical SMILES for 6-methyl-2-oxo-5-propyl-1H-pyridine-3,4-dicarbonitrile is CCCc1c(C)[nH]c(=O)c(C#N)c1C#N.
What is the InChIKey of 6-methyl-2-oxo-5-propyl-1H-pyridine-3,4-dicarbonitrile?
The InChIKey is OXITWBSGITYRIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O/c1-3-4-8-7(2)14-11(15)10(6-13)9(8)5-12/h3-4H2,1-2H3,(H,14,15).
What are the key properties of 6-methyl-2-oxo-5-propyl-1H-pyridine-3,4-dicarbonitrile?
6-methyl-2-oxo-5-propyl-1H-pyridine-3,4-dicarbonitrile has a molecular weight of 201.23 g/mol, XLogP of 1.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-oxo-5-propyl-1H-pyridine-3,4-dicarbonitrile is sourced from PubChem (CID 13468040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).