1-(2-ethylhexyl)-6-hydroxy-4,5-dimethyl-2-oxopyridine-3-carbonitrile

C16H24N2O2 — CID 147853906

IUPAC1-(2-ethylhexyl)-6-hydroxy-4,5-dimethyl-2-oxopyridine-3-carbonitrile
SMILESCCCCC(CC)Cn1c(O)c(C)c(C)c(C#N)c1=O
InChIInChI=1S/C16H24N2O2/c1-5-7-8-13(6-2)10-18-15(19)12(4)11(3)14(9-17)16(18)20/h13,19H,5-8,10H2,1-4H3
InChIKeyHVIYURKNOJFRKD-UHFFFAOYSA-N
MW276.38 g/mol
LogP3.26
Rot. Bonds6

About 1-(2-ethylhexyl)-6-hydroxy-4,5-dimethyl-2-oxopyridine-3-carbonitrile

1-(2-ethylhexyl)-6-hydroxy-4,5-dimethyl-2-oxopyridine-3-carbonitrile (PubChem CID 147853906) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-(2-ethylhexyl)-6-hydroxy-4,5-dimethyl-2-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name1-(2-ethylhexyl)-6-hydroxy-4,5-dimethyl-2-oxopyridine-3-carbonitrile
PubChem CID147853906
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name1-(2-ethylhexyl)-6-hydroxy-4,5-dimethyl-2-oxopyridine-3-carbonitrile
SMILESCCCCC(CC)Cn1c(O)c(C)c(C)c(C#N)c1=O
InChIInChI=1S/C16H24N2O2/c1-5-7-8-13(6-2)10-18-15(19)12(4)11(3)14(9-17)16(18)20/h13,19H,5-8,10H2,1-4H3
InChIKeyHVIYURKNOJFRKD-UHFFFAOYSA-N
XLogP3.26
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-Hydroxy-4-methyl-2-oxo-5-(piperidin-1-ylmethyl)-1-propylpyridine-3-carbonitrile
CID 644571
6-Hydroxy-1-(2-hydroxyethyl)-4-methyl-5-[(3-methylpiperidin-1-yl)methyl]-2-oxopyridine-3-carbonitrile
CID 3152402
6-Hydroxy-4-methyl-5-[(3-methylpiperidin-1-yl)methyl]-2-oxo-1-propylpyridine-3-carbonitrile
CID 656096
1-Dodecyl-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile
CID 15538513
1-(2-Ethylhexyl)-1,2-dihydro-6-hydroxy-4-methyl-2-oxonicotinonitrile
CID 3016659
1-(2-Ethylhexyl)-2-hydroxy-6-oxo-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 140318540
1-Allyl-6-hydroxy-4-methyl-5-[(3-methylpiperidin-1-yl)methyl]-2-oxo-1,2-dihydropyridine-3-carbonitrile
CID 3152405
1-(2-Ethylhexyl)-3-cyano-4,6-dimethylpyrid-2-one
CID 20312180
5-Butyl-1-(2-ethylhexyl)-6-hydroxy-4-methylpyridin-2-one
CID 20541686
1-(2-Ethylhexyl)-6-hydroxy-4,5-dimethylpyridin-2-one
CID 20541697
1-Heptyl-2-hydroxy-6-oxopyridine-3-carbonitrile
CID 21311098
5-Ethyl-1-(2-ethylhexyl)-6-hydroxy-4-methylpyridin-2-one
CID 23338609

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylhexyl)-6-hydroxy-4,5-dimethyl-2-oxopyridine-3-carbonitrile?
The IUPAC name of 1-(2-ethylhexyl)-6-hydroxy-4,5-dimethyl-2-oxopyridine-3-carbonitrile (CID 147853906) is 1-(2-ethylhexyl)-6-hydroxy-4,5-dimethyl-2-oxopyridine-3-carbonitrile.
What is the SMILES notation for 1-(2-ethylhexyl)-6-hydroxy-4,5-dimethyl-2-oxopyridine-3-carbonitrile?
The canonical SMILES for 1-(2-ethylhexyl)-6-hydroxy-4,5-dimethyl-2-oxopyridine-3-carbonitrile is CCCCC(CC)Cn1c(O)c(C)c(C)c(C#N)c1=O.
What is the InChIKey of 1-(2-ethylhexyl)-6-hydroxy-4,5-dimethyl-2-oxopyridine-3-carbonitrile?
The InChIKey is HVIYURKNOJFRKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-5-7-8-13(6-2)10-18-15(19)12(4)11(3)14(9-17)16(18)20/h13,19H,5-8,10H2,1-4H3.
What are the key properties of 1-(2-ethylhexyl)-6-hydroxy-4,5-dimethyl-2-oxopyridine-3-carbonitrile?
1-(2-ethylhexyl)-6-hydroxy-4,5-dimethyl-2-oxopyridine-3-carbonitrile has a molecular weight of 276.38 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylhexyl)-6-hydroxy-4,5-dimethyl-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 147853906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).