6-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]hexanoic acid

C12H16N2O5 — CID 24695392

IUPAC6-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]hexanoic acid
SMILESO=C(O)CCCCCNC(=O)c1cc(O)[nH]c(=O)c1
InChIInChI=1S/C12H16N2O5/c15-9-6-8(7-10(16)14-9)12(19)13-5-3-1-2-4-11(17)18/h6-7H,1-5H2,(H,13,19)(H,17,18)(H2,14,15,16)
InChIKeyNYLNGASYXQOZID-UHFFFAOYSA-N
MW268.27 g/mol
LogP0.46
Rot. Bonds7

About 6-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]hexanoic acid

6-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]hexanoic acid (PubChem CID 24695392) has the molecular formula C12H16N2O5 and a molecular weight of 268.27 g/mol. Its IUPAC name is 6-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]hexanoic acid.

Molecular Properties

Compound Name6-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]hexanoic acid
PubChem CID24695392
Molecular FormulaC12H16N2O5
Molecular Weight268.27 g/mol
Exact Mass268.11
IUPAC Name6-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]hexanoic acid
SMILESO=C(O)CCCCCNC(=O)c1cc(O)[nH]c(=O)c1
InChIInChI=1S/C12H16N2O5/c15-9-6-8(7-10(16)14-9)12(19)13-5-3-1-2-4-11(17)18/h6-7H,1-5H2,(H,13,19)(H,17,18)(H2,14,15,16)
InChIKeyNYLNGASYXQOZID-UHFFFAOYSA-N
XLogP0.46
TPSA119.49 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 50.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

8-[(6-oxo-1H-pyridine-3-carbonyl)amino]octanoic acid
CID 20132010
6-[(1-methyl-2H-pyridine-3-carbonyl)amino]hexanoic acid
CID 20132330
6-[(6-oxo-1H-pyridine-3-carbonyl)amino]hexanoic acid
CID 24697002
2-amino-6-[[(2E)-2-ethenylpenta-2,4-dienoyl]amino]hexanoic acid
CID 145233707
6-[(2-oxo-1H-pyridine-3-carbonyl)amino]hexanoic acid
CID 24691646
7-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]heptanoic acid
CID 24693793
4-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]butanoic acid
CID 24701337
1-(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)piperidine-2-carboxylic acid
CID 24704237
7-[(2-oxo-1H-pyridine-3-carbonyl)amino]heptanoic acid
CID 24708760
7-[(6-oxo-1H-pyridine-3-carbonyl)amino]heptanoic acid
CID 24710339
(2S)-1-(6-Hydroxy-2-oxo-1,2-dihydropyridine-4-carbonyl)piperidine-2-carboxylic acid
CID 28203731
(2R)-1-(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)piperidine-2-carboxylic acid
CID 28203733

Frequently Asked Questions

What is the IUPAC name of 6-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]hexanoic acid?
The IUPAC name of 6-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]hexanoic acid (CID 24695392) is 6-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]hexanoic acid.
What is the SMILES notation for 6-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]hexanoic acid?
The canonical SMILES for 6-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]hexanoic acid is O=C(O)CCCCCNC(=O)c1cc(O)[nH]c(=O)c1.
What is the InChIKey of 6-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]hexanoic acid?
The InChIKey is NYLNGASYXQOZID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O5/c15-9-6-8(7-10(16)14-9)12(19)13-5-3-1-2-4-11(17)18/h6-7H,1-5H2,(H,13,19)(H,17,18)(H2,14,15,16).
What are the key properties of 6-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]hexanoic acid?
6-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]hexanoic acid has a molecular weight of 268.27 g/mol, XLogP of 0.46, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]hexanoic acid is sourced from PubChem (CID 24695392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).