6-(2-cyclohexylethylamino)pyridine-2-carboxylic acid

C14H20N2O2 — CID 55053035

IUPAC6-(2-cyclohexylethylamino)pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(NCCC2CCCCC2)n1
InChIInChI=1S/C14H20N2O2/c17-14(18)12-7-4-8-13(16-12)15-10-9-11-5-2-1-3-6-11/h4,7-8,11H,1-3,5-6,9-10H2,(H,15,16)(H,17,18)
InChIKeyRUKLVNHPYSUPBP-UHFFFAOYSA-N
MW248.33 g/mol
LogP3.16
Rot. Bonds5

About 6-(2-cyclohexylethylamino)pyridine-2-carboxylic acid

6-(2-cyclohexylethylamino)pyridine-2-carboxylic acid (PubChem CID 55053035) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 6-(2-cyclohexylethylamino)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-(2-cyclohexylethylamino)pyridine-2-carboxylic acid
PubChem CID55053035
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name6-(2-cyclohexylethylamino)pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(NCCC2CCCCC2)n1
InChIInChI=1S/C14H20N2O2/c17-14(18)12-7-4-8-13(16-12)15-10-9-11-5-2-1-3-6-11/h4,7-8,11H,1-3,5-6,9-10H2,(H,15,16)(H,17,18)
InChIKeyRUKLVNHPYSUPBP-UHFFFAOYSA-N
XLogP3.16
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-[2-(1-methylpiperidin-4-yl)ethylamino]pyridine-2-carboxylic acid
CID 114515932
6-(2-cyclopentylethylamino)pyridine-2-carbothioamide
CID 64588853
6-(2-cyclobutylethylcarbamoyl)pyridine-2-carboxylic acid
CID 113479299
6-[[(1R,2S)-2-hydroxycyclohexyl]methylamino]pyridine-2-carboxylic acid
CID 122057995
N-(2-cyclopentylethyl)-6-fluoropyridin-2-amine
CID 61228606
6-[2-(2,2-dimethylpropanoylamino)ethylamino]pyridine-2-carboxylic acid
CID 122054050
6-(cyclohexylsulfonylamino)pyridine-2-carboxylic acid
CID 63643438
6-(3-cyclohexylpropanoylamino)pyridine-2-carboxamide
CID 136527343
6-[2-(1-methylcyclopropyl)ethylamino]pyridine-2-carboxylic acid
CID 122057061
6-(5,5,5-trifluoropentylamino)pyridine-2-carboxylic acid
CID 115520118
6-[[(2S)-oxolan-2-yl]methylamino]pyridine-2-carboxylic acid
CID 94378458
6-[[3-(methylamino)-3-oxopropyl]amino]pyridine-2-carboxylic acid
CID 62239044

Frequently Asked Questions

What is the IUPAC name of 6-(2-cyclohexylethylamino)pyridine-2-carboxylic acid?
The IUPAC name of 6-(2-cyclohexylethylamino)pyridine-2-carboxylic acid (CID 55053035) is 6-(2-cyclohexylethylamino)pyridine-2-carboxylic acid.
What is the SMILES notation for 6-(2-cyclohexylethylamino)pyridine-2-carboxylic acid?
The canonical SMILES for 6-(2-cyclohexylethylamino)pyridine-2-carboxylic acid is O=C(O)c1cccc(NCCC2CCCCC2)n1.
What is the InChIKey of 6-(2-cyclohexylethylamino)pyridine-2-carboxylic acid?
The InChIKey is RUKLVNHPYSUPBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c17-14(18)12-7-4-8-13(16-12)15-10-9-11-5-2-1-3-6-11/h4,7-8,11H,1-3,5-6,9-10H2,(H,15,16)(H,17,18).
What are the key properties of 6-(2-cyclohexylethylamino)pyridine-2-carboxylic acid?
6-(2-cyclohexylethylamino)pyridine-2-carboxylic acid has a molecular weight of 248.33 g/mol, XLogP of 3.16, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-cyclohexylethylamino)pyridine-2-carboxylic acid is sourced from PubChem (CID 55053035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).