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

C13H16N2O4 — CID 55146724

IUPAC3-[(2-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESO=C(NC1CCCC(C(=O)O)C1)c1ccc[nH]c1=O
InChIInChI=1S/C13H16N2O4/c16-11-10(5-2-6-14-11)12(17)15-9-4-1-3-8(7-9)13(18)19/h2,5-6,8-9H,1,3-4,7H2,(H,14,16)(H,15,17)(H,18,19)
InChIKeyMHARZKRQFSVCOM-UHFFFAOYSA-N
MW264.28 g/mol
LogP0.75
Rot. Bonds3

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

3-[(2-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 55146724) has the molecular formula C13H16N2O4 and a molecular weight of 264.28 g/mol. Its IUPAC name is 3-[(2-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name3-[(2-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
PubChem CID55146724
Molecular FormulaC13H16N2O4
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC Name3-[(2-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESO=C(NC1CCCC(C(=O)O)C1)c1ccc[nH]c1=O
InChIInChI=1S/C13H16N2O4/c16-11-10(5-2-6-14-11)12(17)15-9-4-1-3-8(7-9)13(18)19/h2,5-6,8-9H,1,3-4,7H2,(H,14,16)(H,15,17)(H,18,19)
InChIKeyMHARZKRQFSVCOM-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-(2-Oxo-1,2-dihydropyridine-3-carboxamido)octanoic acid
CID 10660393
1-(2-Oxo-1,2-dihydropyridine-3-carboxamido)cyclohexane-1-carboxylic acid
CID 24691617
4-[(2-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 21804993
4-[(1-Methyl-2-oxopyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 21805076
7-[(2-oxo-1H-pyridine-3-carbonyl)amino]heptanoic acid
CID 24708760
1-[3-(2-Oxo-1-pyridinyl)propanoylamino]cyclohexane-1-carboxylic acid
CID 43169520
2-[1-(2-oxo-1H-pyridine-3-carbonyl)piperidin-2-yl]acetic acid
CID 54899616
3-[[(2E,4E)-hexa-2,4-dienoyl]amino]cyclohexane-1-carboxylic acid
CID 55146726
trans-4-{[3-(2-oxo-1(2H)-pyridinyl)propanoyl]amino}cyclohexanecarboxylic acid
CID 60810353
2-cyclohexyl-2-[(2-oxo-1H-pyridine-3-carbonyl)amino]acetic acid
CID 61014782
3-methyl-1-[(2-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 61289779
2-methyl-1-[(2-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 61293205

Frequently Asked Questions

What is the IUPAC name of 3-[(2-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 3-[(2-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid (CID 55146724) is 3-[(2-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 3-[(2-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 3-[(2-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid is O=C(NC1CCCC(C(=O)O)C1)c1ccc[nH]c1=O.
What is the InChIKey of 3-[(2-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is MHARZKRQFSVCOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4/c16-11-10(5-2-6-14-11)12(17)15-9-4-1-3-8(7-9)13(18)19/h2,5-6,8-9H,1,3-4,7H2,(H,14,16)(H,15,17)(H,18,19).
What are the key properties of 3-[(2-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid?
3-[(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 3-[(2-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 55146724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).