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

C15H24N2O3 — CID 23338597

IUPAC1-(2-ethylhexyl)-2-hydroxy-4-methyl-6-oxopyridine-3-carboxamide
SMILESCCCCC(CC)Cn1c(O)c(C(N)=O)c(C)cc1=O
InChIInChI=1S/C15H24N2O3/c1-4-6-7-11(5-2)9-17-12(18)8-10(3)13(14(16)19)15(17)20/h8,11,20H,4-7,9H2,1-3H3,(H2,16,19)
InChIKeyTTWCFVVCNLZIPQ-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.18
Rot. Bonds7

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

1-(2-ethylhexyl)-2-hydroxy-4-methyl-6-oxopyridine-3-carboxamide (PubChem CID 23338597) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 1-(2-ethylhexyl)-2-hydroxy-4-methyl-6-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name1-(2-ethylhexyl)-2-hydroxy-4-methyl-6-oxopyridine-3-carboxamide
PubChem CID23338597
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name1-(2-ethylhexyl)-2-hydroxy-4-methyl-6-oxopyridine-3-carboxamide
SMILESCCCCC(CC)Cn1c(O)c(C(N)=O)c(C)cc1=O
InChIInChI=1S/C15H24N2O3/c1-4-6-7-11(5-2)9-17-12(18)8-10(3)13(14(16)19)15(17)20/h8,11,20H,4-7,9H2,1-3H3,(H2,16,19)
InChIKeyTTWCFVVCNLZIPQ-UHFFFAOYSA-N
XLogP2.18
TPSA85.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.18
H-Bond Donors ≤ 52
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-carboxamide?
The IUPAC name of 1-(2-ethylhexyl)-2-hydroxy-4-methyl-6-oxopyridine-3-carboxamide (CID 23338597) is 1-(2-ethylhexyl)-2-hydroxy-4-methyl-6-oxopyridine-3-carboxamide.
What is the SMILES notation for 1-(2-ethylhexyl)-2-hydroxy-4-methyl-6-oxopyridine-3-carboxamide?
The canonical SMILES for 1-(2-ethylhexyl)-2-hydroxy-4-methyl-6-oxopyridine-3-carboxamide is CCCCC(CC)Cn1c(O)c(C(N)=O)c(C)cc1=O.
What is the InChIKey of 1-(2-ethylhexyl)-2-hydroxy-4-methyl-6-oxopyridine-3-carboxamide?
The InChIKey is TTWCFVVCNLZIPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-4-6-7-11(5-2)9-17-12(18)8-10(3)13(14(16)19)15(17)20/h8,11,20H,4-7,9H2,1-3H3,(H2,16,19).
What are the key properties of 1-(2-ethylhexyl)-2-hydroxy-4-methyl-6-oxopyridine-3-carboxamide?
1-(2-ethylhexyl)-2-hydroxy-4-methyl-6-oxopyridine-3-carboxamide has a molecular weight of 280.37 g/mol, XLogP of 2.18, 7 rotatable bonds, 2 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-carboxamide is sourced from PubChem (CID 23338597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).