4-[2-(cyclohexen-1-yl)ethylamino]-6-methylpyridine-3-carboxylic acid

C15H20N2O2 — CID 114009317

IUPAC4-[2-(cyclohexen-1-yl)ethylamino]-6-methylpyridine-3-carboxylic acid
SMILESCc1cc(NCCC2=CCCCC2)c(C(=O)O)cn1
InChIInChI=1S/C15H20N2O2/c1-11-9-14(13(10-17-11)15(18)19)16-8-7-12-5-3-2-4-6-12/h5,9-10H,2-4,6-8H2,1H3,(H,16,17)(H,18,19)
InChIKeyHZRAOBYJDIJRTM-UHFFFAOYSA-N
MW260.34 g/mol
LogP3.39
Rot. Bonds5

About 4-[2-(cyclohexen-1-yl)ethylamino]-6-methylpyridine-3-carboxylic acid

4-[2-(cyclohexen-1-yl)ethylamino]-6-methylpyridine-3-carboxylic acid (PubChem CID 114009317) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 4-[2-(cyclohexen-1-yl)ethylamino]-6-methylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-[2-(cyclohexen-1-yl)ethylamino]-6-methylpyridine-3-carboxylic acid
PubChem CID114009317
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name4-[2-(cyclohexen-1-yl)ethylamino]-6-methylpyridine-3-carboxylic acid
SMILESCc1cc(NCCC2=CCCCC2)c(C(=O)O)cn1
InChIInChI=1S/C15H20N2O2/c1-11-9-14(13(10-17-11)15(18)19)16-8-7-12-5-3-2-4-6-12/h5,9-10H,2-4,6-8H2,1H3,(H,16,17)(H,18,19)
InChIKeyHZRAOBYJDIJRTM-UHFFFAOYSA-N
XLogP3.39
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 53.39
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

5-chloro-2-[2-(cyclohexen-1-yl)ethylamino]pyridine-4-carboxylic acid
CID 107853620
6-methyl-4-[[3-(methylamino)-3-oxopropyl]amino]pyridine-3-carboxylic acid
CID 81243971
2-[2-(cyclohexen-1-yl)ethylamino]-4-(methoxymethyl)pyrimidine-5-carboxylic acid
CID 91915939
4-[2-(cyclohexen-1-yl)ethylamino]-2,3-difluorobenzoic acid
CID 79838078
6-methyl-4-(prop-2-ynylamino)pyridine-3-carboxylic acid
CID 81232269
4-(but-3-ynylamino)-6-methylpyridine-3-carboxylic acid
CID 81244685
2-[2-(cyclohexen-1-yl)ethylamino]-5-(propylsulfamoyl)benzoic acid
CID 99981613
ethyl N-[5-[2-(cyclohexen-1-yl)ethylamino]-2-pyridinyl]carbamate
CID 113024981
4-[[1-(dimethylamino)cyclopentyl]methylamino]-6-methylpyridine-3-carboxylic acid
CID 83121725
5-[[(2R)-butan-2-yl]sulfamoyl]-2-[2-(cyclohexen-1-yl)ethylamino]benzoic acid
CID 99982228
2-amino-5-[2-(cyclopenten-1-yl)ethylamino]-3-methylbenzoic acid
CID 106166435
4-N-[2-(cyclohexen-1-yl)ethyl]-2-methylquinoline-4,6-diamine
CID 107846198

Frequently Asked Questions

What is the IUPAC name of 4-[2-(cyclohexen-1-yl)ethylamino]-6-methylpyridine-3-carboxylic acid?
The IUPAC name of 4-[2-(cyclohexen-1-yl)ethylamino]-6-methylpyridine-3-carboxylic acid (CID 114009317) is 4-[2-(cyclohexen-1-yl)ethylamino]-6-methylpyridine-3-carboxylic acid.
What is the SMILES notation for 4-[2-(cyclohexen-1-yl)ethylamino]-6-methylpyridine-3-carboxylic acid?
The canonical SMILES for 4-[2-(cyclohexen-1-yl)ethylamino]-6-methylpyridine-3-carboxylic acid is Cc1cc(NCCC2=CCCCC2)c(C(=O)O)cn1.
What is the InChIKey of 4-[2-(cyclohexen-1-yl)ethylamino]-6-methylpyridine-3-carboxylic acid?
The InChIKey is HZRAOBYJDIJRTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-11-9-14(13(10-17-11)15(18)19)16-8-7-12-5-3-2-4-6-12/h5,9-10H,2-4,6-8H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 4-[2-(cyclohexen-1-yl)ethylamino]-6-methylpyridine-3-carboxylic acid?
4-[2-(cyclohexen-1-yl)ethylamino]-6-methylpyridine-3-carboxylic acid has a molecular weight of 260.34 g/mol, XLogP of 3.39, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(cyclohexen-1-yl)ethylamino]-6-methylpyridine-3-carboxylic acid is sourced from PubChem (CID 114009317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).