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

C13H16N2O4 — CID 64812920

IUPAC2-[(2-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESO=C(NC1CCCCC1C(=O)O)c1ccc[nH]c1=O
InChIInChI=1S/C13H16N2O4/c16-11-9(5-3-7-14-11)12(17)15-10-6-2-1-4-8(10)13(18)19/h3,5,7-8,10H,1-2,4,6H2,(H,14,16)(H,15,17)(H,18,19)
InChIKeyNKWGHYHDDFPQOR-UHFFFAOYSA-N
MW264.28 g/mol
LogP0.75
Rot. Bonds3

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

2-[(2-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 64812920) has the molecular formula C13H16N2O4 and a molecular weight of 264.28 g/mol. Its IUPAC name is 2-[(2-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(2-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
PubChem CID64812920
Molecular FormulaC13H16N2O4
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC Name2-[(2-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESO=C(NC1CCCCC1C(=O)O)c1ccc[nH]c1=O
InChIInChI=1S/C13H16N2O4/c16-11-9(5-3-7-14-11)12(17)15-10-6-2-1-4-8(10)13(18)19/h3,5,7-8,10H,1-2,4,6H2,(H,14,16)(H,15,17)(H,18,19)
InChIKeyNKWGHYHDDFPQOR-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 2-[(2-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 2-[(2-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid (CID 64812920) is 2-[(2-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-[(2-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-[(2-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid is O=C(NC1CCCCC1C(=O)O)c1ccc[nH]c1=O.
What is the InChIKey of 2-[(2-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is NKWGHYHDDFPQOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4/c16-11-9(5-3-7-14-11)12(17)15-10-6-2-1-4-8(10)13(18)19/h3,5,7-8,10H,1-2,4,6H2,(H,14,16)(H,15,17)(H,18,19).
What are the key properties of 2-[(2-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid?
2-[(2-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 2-[(2-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 64812920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).