4-[(4-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid

C13H16N2O4 — CID 114038661

IUPAC4-[(4-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESO=C(NC1CCC(C(=O)O)CC1)c1c[nH]ccc1=O
InChIInChI=1S/C13H16N2O4/c16-11-5-6-14-7-10(11)12(17)15-9-3-1-8(2-4-9)13(18)19/h5-9H,1-4H2,(H,14,16)(H,15,17)(H,18,19)
InChIKeyZYXIYKMDFWHVGO-UHFFFAOYSA-N
MW264.28 g/mol
LogP0.75
Rot. Bonds3

About 4-[(4-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid

4-[(4-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 114038661) has the molecular formula C13H16N2O4 and a molecular weight of 264.28 g/mol. Its IUPAC name is 4-[(4-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[(4-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
PubChem CID114038661
Molecular FormulaC13H16N2O4
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC Name4-[(4-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESO=C(NC1CCC(C(=O)O)CC1)c1c[nH]ccc1=O
InChIInChI=1S/C13H16N2O4/c16-11-5-6-14-7-10(11)12(17)15-9-3-1-8(2-4-9)13(18)19/h5-9H,1-4H2,(H,14,16)(H,15,17)(H,18,19)
InChIKeyZYXIYKMDFWHVGO-UHFFFAOYSA-N
XLogP0.75
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 ≤ 50.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[(4-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid (CID 114038661) is 4-[(4-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[(4-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[(4-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid is O=C(NC1CCC(C(=O)O)CC1)c1c[nH]ccc1=O.
What is the InChIKey of 4-[(4-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is ZYXIYKMDFWHVGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4/c16-11-5-6-14-7-10(11)12(17)15-9-3-1-8(2-4-9)13(18)19/h5-9H,1-4H2,(H,14,16)(H,15,17)(H,18,19).
What are the key properties of 4-[(4-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid?
4-[(4-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 264.28 g/mol, XLogP of 0.75, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 114038661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).