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

C13H16N2O5 — CID 24691815

IUPAC1-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESO=C(NC1(C(=O)O)CCCCC1)c1cc(O)[nH]c(=O)c1
InChIInChI=1S/C13H16N2O5/c16-9-6-8(7-10(17)14-9)11(18)15-13(12(19)20)4-2-1-3-5-13/h6-7H,1-5H2,(H,15,18)(H,19,20)(H2,14,16,17)
InChIKeyRNHJQOJEPWZXLC-UHFFFAOYSA-N
MW280.28 g/mol
LogP0.60
Rot. Bonds3

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

1-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 24691815) 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)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]cyclohexane-1-carboxylic acid
PubChem CID24691815
Molecular FormulaC13H16N2O5
Molecular Weight280.28 g/mol
Exact Mass280.11
IUPAC Name1-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESO=C(NC1(C(=O)O)CCCCC1)c1cc(O)[nH]c(=O)c1
InChIInChI=1S/C13H16N2O5/c16-9-6-8(7-10(17)14-9)11(18)15-13(12(19)20)4-2-1-3-5-13/h6-7H,1-5H2,(H,15,18)(H,19,20)(H2,14,16,17)
InChIKeyRNHJQOJEPWZXLC-UHFFFAOYSA-N
XLogP0.60
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 ≤ 50.60
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]cyclohexane-1-carboxylic acid (CID 24691815) is 1-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]cyclohexane-1-carboxylic acid is O=C(NC1(C(=O)O)CCCCC1)c1cc(O)[nH]c(=O)c1.
What is the InChIKey of 1-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is RNHJQOJEPWZXLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O5/c16-9-6-8(7-10(17)14-9)11(18)15-13(12(19)20)4-2-1-3-5-13/h6-7H,1-5H2,(H,15,18)(H,19,20)(H2,14,16,17).
What are the key properties of 1-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]cyclohexane-1-carboxylic acid?
1-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 280.28 g/mol, XLogP of 0.60, 3 rotatable bonds, 4 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)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 24691815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).