N-(1-azabicyclo[2.2.2]octan-3-yl)-1,2-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraene-3-carboxamide;hydrochloride

C19H25ClN4O — CID 23036705

IUPACN-(1-azabicyclo[2.2.2]octan-3-yl)-1,2-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraene-3-carboxamide;hydrochloride
SMILESCl.O=C(NC1CN2CCC1CC2)c1nn2c3c(cccc13)CCCC2
InChIInChI=1S/C19H24N4O.ClH/c24-19(20-16-12-22-10-7-13(16)8-11-22)17-15-6-3-5-14-4-1-2-9-23(21-17)18(14)15;/h3,5-6,13,16H,1-2,4,7-12H2,(H,20,24);1H
InChIKeyCQFJYAFPUPJBMC-UHFFFAOYSA-N
MW360.89 g/mol
LogP2.62
Rot. Bonds2

About N-(1-azabicyclo[2.2.2]octan-3-yl)-1,2-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraene-3-carboxamide;hydrochloride

N-(1-azabicyclo[2.2.2]octan-3-yl)-1,2-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraene-3-carboxamide;hydrochloride (PubChem CID 23036705) has the molecular formula C19H25ClN4O and a molecular weight of 360.89 g/mol. Its IUPAC name is N-(1-azabicyclo[2.2.2]octan-3-yl)-1,2-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraene-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(1-azabicyclo[2.2.2]octan-3-yl)-1,2-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraene-3-carboxamide;hydrochloride
PubChem CID23036705
Molecular FormulaC19H25ClN4O
Molecular Weight360.89 g/mol
Exact Mass360.17
IUPAC NameN-(1-azabicyclo[2.2.2]octan-3-yl)-1,2-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraene-3-carboxamide;hydrochloride
SMILESCl.O=C(NC1CN2CCC1CC2)c1nn2c3c(cccc13)CCCC2
InChIInChI=1S/C19H24N4O.ClH/c24-19(20-16-12-22-10-7-13(16)8-11-22)17-15-6-3-5-14-4-1-2-9-23(21-17)18(14)15;/h3,5-6,13,16H,1-2,4,7-12H2,(H,20,24);1H
InChIKeyCQFJYAFPUPJBMC-UHFFFAOYSA-N
XLogP2.62
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.89
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(1-azabicyclo[2.2.2]octan-3-yl)-1,2-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraene-3-carboxamide;hydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(1-azabicyclo[2.2.2]octan-3-yl)-1,2-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraene-3-carboxamide;hydrochloride?
The IUPAC name of N-(1-azabicyclo[2.2.2]octan-3-yl)-1,2-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraene-3-carboxamide;hydrochloride (CID 23036705) is N-(1-azabicyclo[2.2.2]octan-3-yl)-1,2-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraene-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(1-azabicyclo[2.2.2]octan-3-yl)-1,2-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraene-3-carboxamide;hydrochloride?
The canonical SMILES for N-(1-azabicyclo[2.2.2]octan-3-yl)-1,2-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraene-3-carboxamide;hydrochloride is Cl.O=C(NC1CN2CCC1CC2)c1nn2c3c(cccc13)CCCC2.
What is the InChIKey of N-(1-azabicyclo[2.2.2]octan-3-yl)-1,2-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraene-3-carboxamide;hydrochloride?
The InChIKey is CQFJYAFPUPJBMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O.ClH/c24-19(20-16-12-22-10-7-13(16)8-11-22)17-15-6-3-5-14-4-1-2-9-23(21-17)18(14)15;/h3,5-6,13,16H,1-2,4,7-12H2,(H,20,24);1H.
What are the key properties of N-(1-azabicyclo[2.2.2]octan-3-yl)-1,2-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraene-3-carboxamide;hydrochloride?
N-(1-azabicyclo[2.2.2]octan-3-yl)-1,2-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraene-3-carboxamide;hydrochloride has a molecular weight of 360.89 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-azabicyclo[2.2.2]octan-3-yl)-1,2-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraene-3-carboxamide;hydrochloride is sourced from PubChem (CID 23036705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).