ethyl 1-(5-amino-2-pyridinyl)azocane-5-carboxylate

C15H23N3O2 — CID 144600760

IUPACethyl 1-(5-amino-2-pyridinyl)azocane-5-carboxylate
SMILESCCOC(=O)C1CCCN(c2ccc(N)cn2)CCC1
InChIInChI=1S/C15H23N3O2/c1-2-20-15(19)12-5-3-9-18(10-4-6-12)14-8-7-13(16)11-17-14/h7-8,11-12H,2-6,9-10,16H2,1H3
InChIKeyJSJLFJIRACOQQE-UHFFFAOYSA-N
MW277.37 g/mol
LogP2.22
Rot. Bonds3

About ethyl 1-(5-amino-2-pyridinyl)azocane-5-carboxylate

ethyl 1-(5-amino-2-pyridinyl)azocane-5-carboxylate (PubChem CID 144600760) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is ethyl 1-(5-amino-2-pyridinyl)azocane-5-carboxylate.

Molecular Properties

Compound Nameethyl 1-(5-amino-2-pyridinyl)azocane-5-carboxylate
PubChem CID144600760
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Nameethyl 1-(5-amino-2-pyridinyl)azocane-5-carboxylate
SMILESCCOC(=O)C1CCCN(c2ccc(N)cn2)CCC1
InChIInChI=1S/C15H23N3O2/c1-2-20-15(19)12-5-3-9-18(10-4-6-12)14-8-7-13(16)11-17-14/h7-8,11-12H,2-6,9-10,16H2,1H3
InChIKeyJSJLFJIRACOQQE-UHFFFAOYSA-N
XLogP2.22
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 1-(5-amino-2-pyridinyl)azocane-5-carboxylate 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

ethyl 1-(5-acetyl-2-pyridinyl)piperidine-4-carboxylate
CID 66656004
ethyl 1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxylate
CID 4737359
ethyl 1-(5-cyano-2-pyridinyl)piperidine-3-carboxylate
CID 24704715
(3S)-1-(5-amino-2-pyridinyl)piperidine-3-carboxamide
CID 30115330
[4-(5-amino-2-pyridinyl)piperazin-1-yl]-cyclobutylmethanone
CID 43462008
ethyl 8-(5-amino-2-pyridinyl)spiro[8-azabicyclo[3.2.1]octane-3,3'-cyclobutane]-1'-carboxylate
CID 118275484
ethyl 2-[4-(5-amino-2-pyridinyl)piperazin-1-yl]acetate
CID 43462036
ethyl 1-[5-(2-aminopropyl)-2-pyridinyl]piperidine-4-carboxylate
CID 170891147
ethyl 1-(4-amino-2-pyridinyl)piperidine-4-carboxylate
CID 68568819
6-(4-ethoxypiperidin-1-yl)pyridin-3-amine
CID 61220344
ethyl 1-[2-(5-amino-2-pyridinyl)acetyl]piperidine-4-carboxylate
CID 107337538
ethyl 1-[5-(2-aminobutyl)-2-pyridinyl]piperidine-4-carboxylate
CID 170888915

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(5-amino-2-pyridinyl)azocane-5-carboxylate?
The IUPAC name of ethyl 1-(5-amino-2-pyridinyl)azocane-5-carboxylate (CID 144600760) is ethyl 1-(5-amino-2-pyridinyl)azocane-5-carboxylate.
What is the SMILES notation for ethyl 1-(5-amino-2-pyridinyl)azocane-5-carboxylate?
The canonical SMILES for ethyl 1-(5-amino-2-pyridinyl)azocane-5-carboxylate is CCOC(=O)C1CCCN(c2ccc(N)cn2)CCC1.
What is the InChIKey of ethyl 1-(5-amino-2-pyridinyl)azocane-5-carboxylate?
The InChIKey is JSJLFJIRACOQQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-2-20-15(19)12-5-3-9-18(10-4-6-12)14-8-7-13(16)11-17-14/h7-8,11-12H,2-6,9-10,16H2,1H3.
What are the key properties of ethyl 1-(5-amino-2-pyridinyl)azocane-5-carboxylate?
ethyl 1-(5-amino-2-pyridinyl)azocane-5-carboxylate has a molecular weight of 277.37 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(5-amino-2-pyridinyl)azocane-5-carboxylate is sourced from PubChem (CID 144600760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).