ethyl 6-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)pyridine-3-carboxylate;hydrochloride

C15H22ClN3O2 — CID 46743248

IUPACethyl 6-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)pyridine-3-carboxylate;hydrochloride
SMILESCCOC(=O)c1ccc(N2C3CCC2CC(N)C3)nc1.Cl
InChIInChI=1S/C15H21N3O2.ClH/c1-2-20-15(19)10-3-6-14(17-9-10)18-12-4-5-13(18)8-11(16)7-12;/h3,6,9,11-13H,2,4-5,7-8,16H2,1H3;1H
InChIKeyOQJFNUHOKHSECM-UHFFFAOYSA-N
MW311.81 g/mol
LogP2.14
Rot. Bonds3

About ethyl 6-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)pyridine-3-carboxylate;hydrochloride

ethyl 6-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)pyridine-3-carboxylate;hydrochloride (PubChem CID 46743248) has the molecular formula C15H22ClN3O2 and a molecular weight of 311.81 g/mol. Its IUPAC name is ethyl 6-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)pyridine-3-carboxylate;hydrochloride.

Molecular Properties

Compound Nameethyl 6-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)pyridine-3-carboxylate;hydrochloride
PubChem CID46743248
Molecular FormulaC15H22ClN3O2
Molecular Weight311.81 g/mol
Exact Mass311.14
IUPAC Nameethyl 6-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)pyridine-3-carboxylate;hydrochloride
SMILESCCOC(=O)c1ccc(N2C3CCC2CC(N)C3)nc1.Cl
InChIInChI=1S/C15H21N3O2.ClH/c1-2-20-15(19)10-3-6-14(17-9-10)18-12-4-5-13(18)8-11(16)7-12;/h3,6,9,11-13H,2,4-5,7-8,16H2,1H3;1H
InChIKeyOQJFNUHOKHSECM-UHFFFAOYSA-N
XLogP2.14
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.81
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 6-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)pyridine-3-carboxylate;hydrochloride with MolForge

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Related Compounds

ethyl 6-[(3aR,7aS)-5-amino-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]pyridine-3-carboxylate
CID 43599506
1-[6-[(1R,5S)-3-amino-8-azabicyclo[3.2.1]octan-8-yl]-3-pyridinyl]-3-(1-methylpiperidin-4-yl)propan-1-one;hydrochloride
CID 67404006
ethyl 6-[3-(hydroxymethyl)pyrrolidin-1-yl]pyridine-3-carboxylate
CID 62371889
2-[1-(5-ethoxycarbonyl-2-pyridinyl)piperidin-4-yl]acetic acid
CID 79610114
ethyl 6-[4-(5-ethoxycarbonyl-2-pyridinyl)-1,4-diazepan-1-yl]pyridine-3-carboxylate
CID 32800544
ethyl 6-[3-(2-hydroxyethyl)pyrrolidin-1-yl]pyridine-3-carboxylate
CID 115657940
ethyl 6-(2-ethylpiperidin-1-yl)pyridine-3-carboxylate
CID 103613521
1-[6-(3-methyl-8-azabicyclo[3.2.1]octan-8-yl)-3-pyridinyl]ethanone
CID 71019606
ethyl 6-(4-pyrazol-1-ylpiperidin-1-yl)pyridine-3-carboxylate
CID 133277944
ethyl 6-[4-(cyclopentylmethyl)-3-oxopiperazin-1-yl]pyridine-3-carboxylate
CID 133390714
2-[1-(5-ethoxycarbonyl-2-pyridinyl)pyrrolidin-2-yl]acetic acid
CID 61370312
2-(5-ethoxycarbonyl-2-pyridinyl)-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole-5-carboxylic acid
CID 67353760

Frequently Asked Questions

What is the IUPAC name of ethyl 6-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)pyridine-3-carboxylate;hydrochloride?
The IUPAC name of ethyl 6-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)pyridine-3-carboxylate;hydrochloride (CID 46743248) is ethyl 6-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)pyridine-3-carboxylate;hydrochloride.
What is the SMILES notation for ethyl 6-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)pyridine-3-carboxylate;hydrochloride?
The canonical SMILES for ethyl 6-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)pyridine-3-carboxylate;hydrochloride is CCOC(=O)c1ccc(N2C3CCC2CC(N)C3)nc1.Cl.
What is the InChIKey of ethyl 6-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)pyridine-3-carboxylate;hydrochloride?
The InChIKey is OQJFNUHOKHSECM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2.ClH/c1-2-20-15(19)10-3-6-14(17-9-10)18-12-4-5-13(18)8-11(16)7-12;/h3,6,9,11-13H,2,4-5,7-8,16H2,1H3;1H.
What are the key properties of ethyl 6-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)pyridine-3-carboxylate;hydrochloride?
ethyl 6-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)pyridine-3-carboxylate;hydrochloride has a molecular weight of 311.81 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)pyridine-3-carboxylate;hydrochloride is sourced from PubChem (CID 46743248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).