1-[(2-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid

C13H16N2O4 — CID 24691617

IUPAC1-[(2-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESO=C(NC1(C(=O)O)CCCCC1)c1ccc[nH]c1=O
InChIInChI=1S/C13H16N2O4/c16-10-9(5-4-8-14-10)11(17)15-13(12(18)19)6-2-1-3-7-13/h4-5,8H,1-3,6-7H2,(H,14,16)(H,15,17)(H,18,19)
InChIKeyYIBAXLDSTHDIEX-UHFFFAOYSA-N
MW264.28 g/mol
LogP0.89
Rot. Bonds3

About 1-[(2-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid

1-[(2-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 24691617) has the molecular formula C13H16N2O4 and a molecular weight of 264.28 g/mol. Its IUPAC name is 1-[(2-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(2-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
PubChem CID24691617
Molecular FormulaC13H16N2O4
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC Name1-[(2-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESO=C(NC1(C(=O)O)CCCCC1)c1ccc[nH]c1=O
InChIInChI=1S/C13H16N2O4/c16-10-9(5-4-8-14-10)11(17)15-13(12(18)19)6-2-1-3-7-13/h4-5,8H,1-3,6-7H2,(H,14,16)(H,15,17)(H,18,19)
InChIKeyYIBAXLDSTHDIEX-UHFFFAOYSA-N
XLogP0.89
TPSA99.26 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 50.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[(2-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid (CID 24691617) is 1-[(2-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[(2-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[(2-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid is O=C(NC1(C(=O)O)CCCCC1)c1ccc[nH]c1=O.
What is the InChIKey of 1-[(2-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is YIBAXLDSTHDIEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4/c16-10-9(5-4-8-14-10)11(17)15-13(12(18)19)6-2-1-3-7-13/h4-5,8H,1-3,6-7H2,(H,14,16)(H,15,17)(H,18,19).
What are the key properties of 1-[(2-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid?
1-[(2-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 264.28 g/mol, XLogP of 0.89, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 24691617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).