1-(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)azepane-2-carboxylic acid

C13H16N2O5 — CID 64559175

IUPAC1-(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)azepane-2-carboxylic acid
SMILESO=C(O)C1CCCCCN1C(=O)c1cc(O)[nH]c(=O)c1
InChIInChI=1S/C13H16N2O5/c16-10-6-8(7-11(17)14-10)12(18)15-5-3-1-2-4-9(15)13(19)20/h6-7,9H,1-5H2,(H,19,20)(H2,14,16,17)
InChIKeyOSXAESNBEAEIPD-UHFFFAOYSA-N
MW280.28 g/mol
LogP0.55
Rot. Bonds2

About 1-(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)azepane-2-carboxylic acid

1-(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)azepane-2-carboxylic acid (PubChem CID 64559175) has the molecular formula C13H16N2O5 and a molecular weight of 280.28 g/mol. Its IUPAC name is 1-(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)azepane-2-carboxylic acid.

Molecular Properties

Compound Name1-(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)azepane-2-carboxylic acid
PubChem CID64559175
Molecular FormulaC13H16N2O5
Molecular Weight280.28 g/mol
Exact Mass280.11
IUPAC Name1-(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)azepane-2-carboxylic acid
SMILESO=C(O)C1CCCCCN1C(=O)c1cc(O)[nH]c(=O)c1
InChIInChI=1S/C13H16N2O5/c16-10-6-8(7-11(17)14-10)12(18)15-5-3-1-2-4-9(15)13(19)20/h6-7,9H,1-5H2,(H,19,20)(H2,14,16,17)
InChIKeyOSXAESNBEAEIPD-UHFFFAOYSA-N
XLogP0.55
TPSA110.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 50.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(6-oxo-1H-pyridine-3-carbonyl)azepane-2-carboxylic acid
CID 64560700
(2S)-1-(4-amino-3,5-dichlorobenzoyl)piperidine-2-carboxylic acid
CID 82833307
(2S)-1-[3-[(2S)-2-carboxypyrrolidine-1-carbonyl]benzoyl]pyrrolidine-2-carboxylic acid
CID 11142918
1-(5-bromothiophene-3-carbonyl)azepane-2-carboxylic acid
CID 64560879
(2S)-1-(2H-benzotriazole-5-carbonyl)piperidine-2-carboxylic acid
CID 66263146
1-(4-bromo-3-chlorobenzoyl)azepane-2-carboxylic acid
CID 81290541
(2R)-1-(4-bromo-3-hydroxybenzoyl)piperidine-2-carboxylic acid
CID 114103310
1-(1H-pyrazole-4-carbonyl)piperidine-2-carboxylic acid
CID 43565596
1-(1-methyl-2-oxopyridine-4-carbonyl)piperidine-2-carboxylic acid
CID 43356068
1-(4-fluoro-2-hydroxybenzoyl)azepane-2-carboxylic acid
CID 107013626
4-[3-(4-fluorophenyl)azepane-1-carbonyl]-6-hydroxy-1H-pyridin-2-one
CID 121146340
(2S)-1-[3-(dimethylcarbamoyl)benzoyl]piperidine-2-carboxylic acid
CID 99713728

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)azepane-2-carboxylic acid?
The IUPAC name of 1-(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)azepane-2-carboxylic acid (CID 64559175) is 1-(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)azepane-2-carboxylic acid.
What is the SMILES notation for 1-(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)azepane-2-carboxylic acid?
The canonical SMILES for 1-(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)azepane-2-carboxylic acid is O=C(O)C1CCCCCN1C(=O)c1cc(O)[nH]c(=O)c1.
What is the InChIKey of 1-(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)azepane-2-carboxylic acid?
The InChIKey is OSXAESNBEAEIPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O5/c16-10-6-8(7-11(17)14-10)12(18)15-5-3-1-2-4-9(15)13(19)20/h6-7,9H,1-5H2,(H,19,20)(H2,14,16,17).
What are the key properties of 1-(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)azepane-2-carboxylic acid?
1-(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)azepane-2-carboxylic acid has a molecular weight of 280.28 g/mol, XLogP of 0.55, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)azepane-2-carboxylic acid is sourced from PubChem (CID 64559175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).