methyl 2-[2-(cyclohexen-1-yl)ethylamino]pyridine-3-carboxylate

C15H20N2O2 — CID 60712823

IUPACmethyl 2-[2-(cyclohexen-1-yl)ethylamino]pyridine-3-carboxylate
SMILESCOC(=O)c1cccnc1NCCC1=CCCCC1
InChIInChI=1S/C15H20N2O2/c1-19-15(18)13-8-5-10-16-14(13)17-11-9-12-6-3-2-4-7-12/h5-6,8,10H,2-4,7,9,11H2,1H3,(H,16,17)
InChIKeyJIGNGZFOBZMZMG-UHFFFAOYSA-N
MW260.34 g/mol
LogP3.17
Rot. Bonds5

About methyl 2-[2-(cyclohexen-1-yl)ethylamino]pyridine-3-carboxylate

methyl 2-[2-(cyclohexen-1-yl)ethylamino]pyridine-3-carboxylate (PubChem CID 60712823) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is methyl 2-[2-(cyclohexen-1-yl)ethylamino]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-[2-(cyclohexen-1-yl)ethylamino]pyridine-3-carboxylate
PubChem CID60712823
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Namemethyl 2-[2-(cyclohexen-1-yl)ethylamino]pyridine-3-carboxylate
SMILESCOC(=O)c1cccnc1NCCC1=CCCCC1
InChIInChI=1S/C15H20N2O2/c1-19-15(18)13-8-5-10-16-14(13)17-11-9-12-6-3-2-4-7-12/h5-6,8,10H,2-4,7,9,11H2,1H3,(H,16,17)
InChIKeyJIGNGZFOBZMZMG-UHFFFAOYSA-N
XLogP3.17
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[[5-[2-(cyclohexen-1-yl)ethylamino]pyrazine-2-carbonyl]amino]benzoate
CID 109275623
2-bromo-N-[2-(cyclohexen-1-yl)ethyl]pyridine-3-carboxamide
CID 103751992
methyl 2-[[3-[2-(cyclohexen-1-yl)ethylamino]-3-oxopropanoyl]amino]benzoate
CID 108943004
3-[2-(cyclopenten-1-yl)ethylamino]pyridazine-4-carboxylic acid
CID 106178584
methyl 2-[(1-methylcyclobutyl)methylamino]pyridine-3-carboxylate
CID 104695593
methyl 2-[2-[ethyl(methyl)amino]ethylamino]pyridine-3-carboxylate
CID 55098006
N-[2-(cyclohexen-1-yl)ethyl]-3-hydroxypyridine-2-carboxamide
CID 113229799
dimethyl 5-[[5-amino-6-[2-(cyclohexen-1-yl)ethylamino]pyrimidin-4-yl]amino]benzene-1,3-dicarboxylate
CID 22547619
methyl 2-[[6-[2-(cyclohexen-1-yl)ethylcarbamoyl]-3-pyridinyl]amino]benzoate
CID 109183687
methyl 2-(2-methylprop-2-enylamino)pyridine-3-carboxylate
CID 114617741
methyl 2-(2,2-dimethoxyethylamino)pyridine-3-carboxylate
CID 107389941
methyl 2-[(2-methoxy-2-methylpropyl)amino]pyridine-3-carboxylate
CID 104695550

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(cyclohexen-1-yl)ethylamino]pyridine-3-carboxylate?
The IUPAC name of methyl 2-[2-(cyclohexen-1-yl)ethylamino]pyridine-3-carboxylate (CID 60712823) is methyl 2-[2-(cyclohexen-1-yl)ethylamino]pyridine-3-carboxylate.
What is the SMILES notation for methyl 2-[2-(cyclohexen-1-yl)ethylamino]pyridine-3-carboxylate?
The canonical SMILES for methyl 2-[2-(cyclohexen-1-yl)ethylamino]pyridine-3-carboxylate is COC(=O)c1cccnc1NCCC1=CCCCC1.
What is the InChIKey of methyl 2-[2-(cyclohexen-1-yl)ethylamino]pyridine-3-carboxylate?
The InChIKey is JIGNGZFOBZMZMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-19-15(18)13-8-5-10-16-14(13)17-11-9-12-6-3-2-4-7-12/h5-6,8,10H,2-4,7,9,11H2,1H3,(H,16,17).
What are the key properties of methyl 2-[2-(cyclohexen-1-yl)ethylamino]pyridine-3-carboxylate?
methyl 2-[2-(cyclohexen-1-yl)ethylamino]pyridine-3-carboxylate has a molecular weight of 260.34 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(cyclohexen-1-yl)ethylamino]pyridine-3-carboxylate is sourced from PubChem (CID 60712823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).