3-[(6-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid

C13H16N2O4 — CID 63044185

IUPAC3-[(6-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESO=C(NC1CCCC(C(=O)O)C1)c1ccc(=O)[nH]c1
InChIInChI=1S/C13H16N2O4/c16-11-5-4-9(7-14-11)12(17)15-10-3-1-2-8(6-10)13(18)19/h4-5,7-8,10H,1-3,6H2,(H,14,16)(H,15,17)(H,18,19)
InChIKeyMDSWDDZJOWRFLL-UHFFFAOYSA-N
MW264.28 g/mol
LogP0.75
Rot. Bonds3

About 3-[(6-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid

3-[(6-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 63044185) has the molecular formula C13H16N2O4 and a molecular weight of 264.28 g/mol. Its IUPAC name is 3-[(6-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name3-[(6-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
PubChem CID63044185
Molecular FormulaC13H16N2O4
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC Name3-[(6-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESO=C(NC1CCCC(C(=O)O)C1)c1ccc(=O)[nH]c1
InChIInChI=1S/C13H16N2O4/c16-11-5-4-9(7-14-11)12(17)15-10-3-1-2-8(6-10)13(18)19/h4-5,7-8,10H,1-3,6H2,(H,14,16)(H,15,17)(H,18,19)
InChIKeyMDSWDDZJOWRFLL-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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Related Compounds

8-[(6-oxo-1H-pyridine-3-carbonyl)amino]octanoic acid
CID 20132010
1-(6-Oxo-1,6-dihydropyridine-3-carboxamido)cyclohexane-1-carboxylic acid
CID 24698201
7-[(6-oxo-1H-pyridine-3-carbonyl)amino]heptanoic acid
CID 24710339
4-methyl-1-[(6-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 43341405
4-ethyl-1-[(6-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 43341526
2-[1-(6-oxo-1H-pyridine-3-carbonyl)piperidin-2-yl]acetic acid
CID 54899615
3-[(2-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 55146724
3-(Cyclohex-3-ene-1-carbonylamino)cyclohexane-1-carboxylic acid
CID 55146725
3-[[(2E,4E)-hexa-2,4-dienoyl]amino]cyclohexane-1-carboxylic acid
CID 55146726
1-[(1-Methyl-6-oxopyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 56817857
4-[(6-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 60808216
2-cyclohexyl-2-[(6-oxo-1H-pyridine-3-carbonyl)amino]acetic acid
CID 61014899

Frequently Asked Questions

What is the IUPAC name of 3-[(6-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 3-[(6-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid (CID 63044185) is 3-[(6-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 3-[(6-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 3-[(6-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid is O=C(NC1CCCC(C(=O)O)C1)c1ccc(=O)[nH]c1.
What is the InChIKey of 3-[(6-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is MDSWDDZJOWRFLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4/c16-11-5-4-9(7-14-11)12(17)15-10-3-1-2-8(6-10)13(18)19/h4-5,7-8,10H,1-3,6H2,(H,14,16)(H,15,17)(H,18,19).
What are the key properties of 3-[(6-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid?
3-[(6-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 3-[(6-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 63044185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).