6-[[2-(cyclohexen-1-yl)acetyl]amino]pyridine-3-carboxylic acid

C14H16N2O3 — CID 55214702

IUPAC6-[[2-(cyclohexen-1-yl)acetyl]amino]pyridine-3-carboxylic acid
SMILESO=C(CC1=CCCCC1)Nc1ccc(C(=O)O)cn1
InChIInChI=1S/C14H16N2O3/c17-13(8-10-4-2-1-3-5-10)16-12-7-6-11(9-15-12)14(18)19/h4,6-7,9H,1-3,5,8H2,(H,18,19)(H,15,16,17)
InChIKeyUQPXWHZDLGOOCL-UHFFFAOYSA-N
MW260.29 g/mol
LogP2.61
Rot. Bonds4

About 6-[[2-(cyclohexen-1-yl)acetyl]amino]pyridine-3-carboxylic acid

6-[[2-(cyclohexen-1-yl)acetyl]amino]pyridine-3-carboxylic acid (PubChem CID 55214702) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 6-[[2-(cyclohexen-1-yl)acetyl]amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[[2-(cyclohexen-1-yl)acetyl]amino]pyridine-3-carboxylic acid
PubChem CID55214702
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name6-[[2-(cyclohexen-1-yl)acetyl]amino]pyridine-3-carboxylic acid
SMILESO=C(CC1=CCCCC1)Nc1ccc(C(=O)O)cn1
InChIInChI=1S/C14H16N2O3/c17-13(8-10-4-2-1-3-5-10)16-12-7-6-11(9-15-12)14(18)19/h4,6-7,9H,1-3,5,8H2,(H,18,19)(H,15,16,17)
InChIKeyUQPXWHZDLGOOCL-UHFFFAOYSA-N
XLogP2.61
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-[[2-(cyclohexen-1-yl)acetyl]amino]pyridine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[2-(cyclohexen-1-yl)acetyl]amino]-3-fluorobenzoic acid
CID 63565174
4-[[2-(cyclohexen-1-yl)acetyl]amino]-2-methylbenzoic acid
CID 63562693
2-(cyclohexen-1-yl)-N-(4-iodophenyl)acetamide
CID 63563087
2-(cyclohexen-1-yl)-N-(1H-imidazol-2-yl)acetamide
CID 63563325
2-(cyclohexen-1-yl)-N-[1-(hydroxymethyl)cyclohexyl]acetamide
CID 55212957
4-[(cyclohexen-1-ylmethylcarbamoylamino)methyl]benzoic acid
CID 122015864
6-[[2-(2-methylthiophen-3-yl)acetyl]amino]pyridine-3-carboxylic acid
CID 54433636
4-[[2-(cyclohexen-1-yl)acetyl]amino]cyclopent-2-ene-1-carboxylic acid
CID 79209226
6-[2-(cyclohexen-1-yl)ethylamino]-N-(2-phenylethyl)pyridine-3-carboxamide
CID 109152709
6-[2-(cyclohexen-1-yl)ethylamino]-N,N-diethylpyridine-3-carboxamide
CID 109152727
4-[[2-(cyclohexen-1-yl)acetyl]-methylamino]benzoic acid
CID 104698196
6-(cyclopentylamino)pyridine-3-carboxylic acid
CID 1447952

Frequently Asked Questions

What is the IUPAC name of 6-[[2-(cyclohexen-1-yl)acetyl]amino]pyridine-3-carboxylic acid?
The IUPAC name of 6-[[2-(cyclohexen-1-yl)acetyl]amino]pyridine-3-carboxylic acid (CID 55214702) is 6-[[2-(cyclohexen-1-yl)acetyl]amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[[2-(cyclohexen-1-yl)acetyl]amino]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[[2-(cyclohexen-1-yl)acetyl]amino]pyridine-3-carboxylic acid is O=C(CC1=CCCCC1)Nc1ccc(C(=O)O)cn1.
What is the InChIKey of 6-[[2-(cyclohexen-1-yl)acetyl]amino]pyridine-3-carboxylic acid?
The InChIKey is UQPXWHZDLGOOCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c17-13(8-10-4-2-1-3-5-10)16-12-7-6-11(9-15-12)14(18)19/h4,6-7,9H,1-3,5,8H2,(H,18,19)(H,15,16,17).
What are the key properties of 6-[[2-(cyclohexen-1-yl)acetyl]amino]pyridine-3-carboxylic acid?
6-[[2-(cyclohexen-1-yl)acetyl]amino]pyridine-3-carboxylic acid has a molecular weight of 260.29 g/mol, XLogP of 2.61, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-(cyclohexen-1-yl)acetyl]amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 55214702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).