3-[(1,6-dimethyl-4-oxopyridine-3-carbonyl)amino]hexanoic acid

C14H20N2O4 — CID 122563391

IUPAC3-[(1,6-dimethyl-4-oxopyridine-3-carbonyl)amino]hexanoic acid
SMILESCCCC(CC(=O)O)NC(=O)c1cn(C)c(C)cc1=O
InChIInChI=1S/C14H20N2O4/c1-4-5-10(7-13(18)19)15-14(20)11-8-16(3)9(2)6-12(11)17/h6,8,10H,4-5,7H2,1-3H3,(H,15,20)(H,18,19)
InChIKeyZEDXOONTURWHRG-UHFFFAOYSA-N
MW280.32 g/mol
LogP1.07
Rot. Bonds6

About 3-[(1,6-dimethyl-4-oxopyridine-3-carbonyl)amino]hexanoic acid

3-[(1,6-dimethyl-4-oxopyridine-3-carbonyl)amino]hexanoic acid (PubChem CID 122563391) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is 3-[(1,6-dimethyl-4-oxopyridine-3-carbonyl)amino]hexanoic acid.

Molecular Properties

Compound Name3-[(1,6-dimethyl-4-oxopyridine-3-carbonyl)amino]hexanoic acid
PubChem CID122563391
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name3-[(1,6-dimethyl-4-oxopyridine-3-carbonyl)amino]hexanoic acid
SMILESCCCC(CC(=O)O)NC(=O)c1cn(C)c(C)cc1=O
InChIInChI=1S/C14H20N2O4/c1-4-5-10(7-13(18)19)15-14(20)11-8-16(3)9(2)6-12(11)17/h6,8,10H,4-5,7H2,1-3H3,(H,15,20)(H,18,19)
InChIKeyZEDXOONTURWHRG-UHFFFAOYSA-N
XLogP1.07
TPSA88.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(1,6-dimethyl-4-oxopyridine-3-carbonyl)amino]hexanoic acid?
The IUPAC name of 3-[(1,6-dimethyl-4-oxopyridine-3-carbonyl)amino]hexanoic acid (CID 122563391) is 3-[(1,6-dimethyl-4-oxopyridine-3-carbonyl)amino]hexanoic acid.
What is the SMILES notation for 3-[(1,6-dimethyl-4-oxopyridine-3-carbonyl)amino]hexanoic acid?
The canonical SMILES for 3-[(1,6-dimethyl-4-oxopyridine-3-carbonyl)amino]hexanoic acid is CCCC(CC(=O)O)NC(=O)c1cn(C)c(C)cc1=O.
What is the InChIKey of 3-[(1,6-dimethyl-4-oxopyridine-3-carbonyl)amino]hexanoic acid?
The InChIKey is ZEDXOONTURWHRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-4-5-10(7-13(18)19)15-14(20)11-8-16(3)9(2)6-12(11)17/h6,8,10H,4-5,7H2,1-3H3,(H,15,20)(H,18,19).
What are the key properties of 3-[(1,6-dimethyl-4-oxopyridine-3-carbonyl)amino]hexanoic acid?
3-[(1,6-dimethyl-4-oxopyridine-3-carbonyl)amino]hexanoic acid has a molecular weight of 280.32 g/mol, XLogP of 1.07, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1,6-dimethyl-4-oxopyridine-3-carbonyl)amino]hexanoic acid is sourced from PubChem (CID 122563391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).