methyl 4-(3,8-diazabicyclo[3.2.1]octan-8-yl)pyridine-3-carboxylate;hydrochloride

C13H18ClN3O2 — CID 67233076

IUPACmethyl 4-(3,8-diazabicyclo[3.2.1]octan-8-yl)pyridine-3-carboxylate;hydrochloride
SMILESCOC(=O)c1cnccc1N1C2CCC1CNC2.Cl
InChIInChI=1S/C13H17N3O2.ClH/c1-18-13(17)11-8-14-5-4-12(11)16-9-2-3-10(16)7-15-6-9;/h4-5,8-10,15H,2-3,6-7H2,1H3;1H
InChIKeyFJOGAMXABBHNRJ-UHFFFAOYSA-N
MW283.76 g/mol
LogP1.23
Rot. Bonds2

About methyl 4-(3,8-diazabicyclo[3.2.1]octan-8-yl)pyridine-3-carboxylate;hydrochloride

methyl 4-(3,8-diazabicyclo[3.2.1]octan-8-yl)pyridine-3-carboxylate;hydrochloride (PubChem CID 67233076) has the molecular formula C13H18ClN3O2 and a molecular weight of 283.76 g/mol. Its IUPAC name is methyl 4-(3,8-diazabicyclo[3.2.1]octan-8-yl)pyridine-3-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl 4-(3,8-diazabicyclo[3.2.1]octan-8-yl)pyridine-3-carboxylate;hydrochloride
PubChem CID67233076
Molecular FormulaC13H18ClN3O2
Molecular Weight283.76 g/mol
Exact Mass283.11
IUPAC Namemethyl 4-(3,8-diazabicyclo[3.2.1]octan-8-yl)pyridine-3-carboxylate;hydrochloride
SMILESCOC(=O)c1cnccc1N1C2CCC1CNC2.Cl
InChIInChI=1S/C13H17N3O2.ClH/c1-18-13(17)11-8-14-5-4-12(11)16-9-2-3-10(16)7-15-6-9;/h4-5,8-10,15H,2-3,6-7H2,1H3;1H
InChIKeyFJOGAMXABBHNRJ-UHFFFAOYSA-N
XLogP1.23
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.76
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 4-(3,8-diazabicyclo[3.2.1]octan-8-yl)pyridine-3-carboxylate;hydrochloride?
The IUPAC name of methyl 4-(3,8-diazabicyclo[3.2.1]octan-8-yl)pyridine-3-carboxylate;hydrochloride (CID 67233076) is methyl 4-(3,8-diazabicyclo[3.2.1]octan-8-yl)pyridine-3-carboxylate;hydrochloride.
What is the SMILES notation for methyl 4-(3,8-diazabicyclo[3.2.1]octan-8-yl)pyridine-3-carboxylate;hydrochloride?
The canonical SMILES for methyl 4-(3,8-diazabicyclo[3.2.1]octan-8-yl)pyridine-3-carboxylate;hydrochloride is COC(=O)c1cnccc1N1C2CCC1CNC2.Cl.
What is the InChIKey of methyl 4-(3,8-diazabicyclo[3.2.1]octan-8-yl)pyridine-3-carboxylate;hydrochloride?
The InChIKey is FJOGAMXABBHNRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2.ClH/c1-18-13(17)11-8-14-5-4-12(11)16-9-2-3-10(16)7-15-6-9;/h4-5,8-10,15H,2-3,6-7H2,1H3;1H.
What are the key properties of methyl 4-(3,8-diazabicyclo[3.2.1]octan-8-yl)pyridine-3-carboxylate;hydrochloride?
methyl 4-(3,8-diazabicyclo[3.2.1]octan-8-yl)pyridine-3-carboxylate;hydrochloride has a molecular weight of 283.76 g/mol, XLogP of 1.23, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(3,8-diazabicyclo[3.2.1]octan-8-yl)pyridine-3-carboxylate;hydrochloride is sourced from PubChem (CID 67233076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).