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

C13H16N2O5 — CID 60808542

IUPAC4-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESO=C(NC1CCC(C(=O)O)CC1)c1cc(O)[nH]c(=O)c1
InChIInChI=1S/C13H16N2O5/c16-10-5-8(6-11(17)15-10)12(18)14-9-3-1-7(2-4-9)13(19)20/h5-7,9H,1-4H2,(H,14,18)(H,19,20)(H2,15,16,17)
InChIKeyRAPORTWGLCKYHU-UHFFFAOYSA-N
MW280.28 g/mol
LogP0.45
Rot. Bonds3

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

4-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 60808542) has the molecular formula C13H16N2O5 and a molecular weight of 280.28 g/mol. Its IUPAC name is 4-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]cyclohexane-1-carboxylic acid
PubChem CID60808542
Molecular FormulaC13H16N2O5
Molecular Weight280.28 g/mol
Exact Mass280.11
IUPAC Name4-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESO=C(NC1CCC(C(=O)O)CC1)c1cc(O)[nH]c(=O)c1
InChIInChI=1S/C13H16N2O5/c16-10-5-8(6-11(17)15-10)12(18)14-9-3-1-7(2-4-9)13(19)20/h5-7,9H,1-4H2,(H,14,18)(H,19,20)(H2,15,16,17)
InChIKeyRAPORTWGLCKYHU-UHFFFAOYSA-N
XLogP0.45
TPSA119.49 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 50.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 120184755
4-[[(2E)-penta-2,4-dienoyl]amino]cyclohexane-1-carboxylic acid
CID 169607685
4-[(2-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 21804993
4-[(1-Methyl-2-oxopyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 21805076
4-[[(2E,4E)-hexa-2,4-dienoyl]amino]cyclohexane-1-carboxylic acid
CID 54921590
4-[(6-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 60808216
4-[(1-Methyl-2-oxopyridine-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 60808224
4-[[(E)-2-methylpent-2-enoyl]amino]cyclohexane-1-carboxylic acid
CID 60808701
4-(3-Methylbut-2-enoylamino)cyclohexane-1-carboxylic acid
CID 60809020
4-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 60809197
trans-4-{[3-(2-oxo-1(2H)-pyridinyl)propanoyl]amino}cyclohexanecarboxylic acid
CID 60810353
2-cyclohexyl-2-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]acetic acid
CID 61014900

Frequently Asked Questions

What is the IUPAC name of 4-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]cyclohexane-1-carboxylic acid (CID 60808542) is 4-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]cyclohexane-1-carboxylic acid is O=C(NC1CCC(C(=O)O)CC1)c1cc(O)[nH]c(=O)c1.
What is the InChIKey of 4-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is RAPORTWGLCKYHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O5/c16-10-5-8(6-11(17)15-10)12(18)14-9-3-1-7(2-4-9)13(19)20/h5-7,9H,1-4H2,(H,14,18)(H,19,20)(H2,15,16,17).
What are the key properties of 4-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]cyclohexane-1-carboxylic acid?
4-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 280.28 g/mol, XLogP of 0.45, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 60808542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).