6-(cyclohexen-1-ylmethylamino)pyridine-2-carboxylic acid

C13H16N2O2 — CID 122057801

IUPAC6-(cyclohexen-1-ylmethylamino)pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(NCC2=CCCCC2)n1
InChIInChI=1S/C13H16N2O2/c16-13(17)11-7-4-8-12(15-11)14-9-10-5-2-1-3-6-10/h4-5,7-8H,1-3,6,9H2,(H,14,15)(H,16,17)
InChIKeyFBVIJADWRGGIKC-UHFFFAOYSA-N
MW232.28 g/mol
LogP2.69
Rot. Bonds4

About 6-(cyclohexen-1-ylmethylamino)pyridine-2-carboxylic acid

6-(cyclohexen-1-ylmethylamino)pyridine-2-carboxylic acid (PubChem CID 122057801) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 6-(cyclohexen-1-ylmethylamino)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-(cyclohexen-1-ylmethylamino)pyridine-2-carboxylic acid
PubChem CID122057801
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name6-(cyclohexen-1-ylmethylamino)pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(NCC2=CCCCC2)n1
InChIInChI=1S/C13H16N2O2/c16-13(17)11-7-4-8-12(15-11)14-9-10-5-2-1-3-6-10/h4-5,7-8H,1-3,6,9H2,(H,14,15)(H,16,17)
InChIKeyFBVIJADWRGGIKC-UHFFFAOYSA-N
XLogP2.69
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

6-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethylamino)pyridine-2-carboxylic acid
CID 122057504
6-(naphthalen-1-ylmethylamino)pyridine-2-carboxylic acid
CID 62369628
6-[(4-cyanophenyl)methylamino]pyridine-2-carboxylic acid
CID 62268952
6-[[2-(trifluoromethyl)phenyl]methylamino]pyridine-2-carboxylic acid
CID 62879966
6-(2-cyclohexylethylamino)pyridine-2-carboxylic acid
CID 55053035
6-[[(1R,2S)-2-hydroxycyclohexyl]methylamino]pyridine-2-carboxylic acid
CID 122057995
6-[(2-piperidin-1-ylsulfonylphenyl)methylamino]pyridine-2-carboxylic acid
CID 122053220
6-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]pyridine-2-carboxylic acid
CID 106373120
6-[[(2S)-oxolan-2-yl]methylamino]pyridine-2-carboxylic acid
CID 94378458
6-[[1-(2-hydroxyethyl)cyclobutyl]methylamino]pyridine-2-carboxylic acid
CID 136548093
6-[[1-(dimethylamino)cycloheptyl]methylamino]pyridine-2-carboxylic acid
CID 122052738
6-bromo-N-[2-(cyclohexen-1-yl)ethyl]pyridin-2-amine
CID 106193831

Frequently Asked Questions

What is the IUPAC name of 6-(cyclohexen-1-ylmethylamino)pyridine-2-carboxylic acid?
The IUPAC name of 6-(cyclohexen-1-ylmethylamino)pyridine-2-carboxylic acid (CID 122057801) is 6-(cyclohexen-1-ylmethylamino)pyridine-2-carboxylic acid.
What is the SMILES notation for 6-(cyclohexen-1-ylmethylamino)pyridine-2-carboxylic acid?
The canonical SMILES for 6-(cyclohexen-1-ylmethylamino)pyridine-2-carboxylic acid is O=C(O)c1cccc(NCC2=CCCCC2)n1.
What is the InChIKey of 6-(cyclohexen-1-ylmethylamino)pyridine-2-carboxylic acid?
The InChIKey is FBVIJADWRGGIKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c16-13(17)11-7-4-8-12(15-11)14-9-10-5-2-1-3-6-10/h4-5,7-8H,1-3,6,9H2,(H,14,15)(H,16,17).
What are the key properties of 6-(cyclohexen-1-ylmethylamino)pyridine-2-carboxylic acid?
6-(cyclohexen-1-ylmethylamino)pyridine-2-carboxylic acid has a molecular weight of 232.28 g/mol, XLogP of 2.69, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclohexen-1-ylmethylamino)pyridine-2-carboxylic acid is sourced from PubChem (CID 122057801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).