1-(2-ethylhexyl)-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile

C15H22N2O2 — CID 3016659

IUPAC1-(2-ethylhexyl)-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile
SMILESCCCCC(CC)Cn1c(O)c(C#N)c(C)cc1=O
InChIInChI=1S/C15H22N2O2/c1-4-6-7-12(5-2)10-17-14(18)8-11(3)13(9-16)15(17)19/h8,12,19H,4-7,10H2,1-3H3
InChIKeyUAMYHHUQNNATDH-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.95
Rot. Bonds6

About 1-(2-ethylhexyl)-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile

1-(2-ethylhexyl)-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile (PubChem CID 3016659) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 1-(2-ethylhexyl)-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name1-(2-ethylhexyl)-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile
PubChem CID3016659
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name1-(2-ethylhexyl)-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile
SMILESCCCCC(CC)Cn1c(O)c(C#N)c(C)cc1=O
InChIInChI=1S/C15H22N2O2/c1-4-6-7-12(5-2)10-17-14(18)8-11(3)13(9-16)15(17)19/h8,12,19H,4-7,10H2,1-3H3
InChIKeyUAMYHHUQNNATDH-UHFFFAOYSA-N
XLogP2.95
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylhexyl)-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile?
The IUPAC name of 1-(2-ethylhexyl)-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile (CID 3016659) is 1-(2-ethylhexyl)-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile.
What is the SMILES notation for 1-(2-ethylhexyl)-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile?
The canonical SMILES for 1-(2-ethylhexyl)-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile is CCCCC(CC)Cn1c(O)c(C#N)c(C)cc1=O.
What is the InChIKey of 1-(2-ethylhexyl)-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile?
The InChIKey is UAMYHHUQNNATDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-4-6-7-12(5-2)10-17-14(18)8-11(3)13(9-16)15(17)19/h8,12,19H,4-7,10H2,1-3H3.
What are the key properties of 1-(2-ethylhexyl)-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile?
1-(2-ethylhexyl)-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile has a molecular weight of 262.35 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylhexyl)-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile is sourced from PubChem (CID 3016659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).