N-(1-azabicyclo[2.2.2]octan-3-yl)-1-ethynylindolizine-7-carboxamide

C18H19N3O — CID 22565579

IUPACN-(1-azabicyclo[2.2.2]octan-3-yl)-1-ethynylindolizine-7-carboxamide
SMILESC#Cc1ccn2ccc(C(=O)NC3CN4CCC3CC4)cc12
InChIInChI=1S/C18H19N3O/c1-2-13-5-9-21-10-6-15(11-17(13)21)18(22)19-16-12-20-7-3-14(16)4-8-20/h1,5-6,9-11,14,16H,3-4,7-8,12H2,(H,19,22)
InChIKeyWONGWGGJUBKQRP-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.74
Rot. Bonds2

About N-(1-azabicyclo[2.2.2]octan-3-yl)-1-ethynylindolizine-7-carboxamide

N-(1-azabicyclo[2.2.2]octan-3-yl)-1-ethynylindolizine-7-carboxamide (PubChem CID 22565579) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is N-(1-azabicyclo[2.2.2]octan-3-yl)-1-ethynylindolizine-7-carboxamide.

Molecular Properties

Compound NameN-(1-azabicyclo[2.2.2]octan-3-yl)-1-ethynylindolizine-7-carboxamide
PubChem CID22565579
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC NameN-(1-azabicyclo[2.2.2]octan-3-yl)-1-ethynylindolizine-7-carboxamide
SMILESC#Cc1ccn2ccc(C(=O)NC3CN4CCC3CC4)cc12
InChIInChI=1S/C18H19N3O/c1-2-13-5-9-21-10-6-15(11-17(13)21)18(22)19-16-12-20-7-3-14(16)4-8-20/h1,5-6,9-11,14,16H,3-4,7-8,12H2,(H,19,22)
InChIKeyWONGWGGJUBKQRP-UHFFFAOYSA-N
XLogP1.74
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(1-azabicyclo[2.2.2]octan-3-yl)-1-ethynylindolizine-7-carboxamide 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

N-[(4R)-1-azabicyclo[2.2.1]heptan-3-yl]-1-cyanoindolizine-6-carboxamide
CID 15967061
N-(1-azabicyclo[2.2.2]octan-3-yl)benzamide;hydrochloride
CID 19766290
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-4-(125I)iodo(125I)benzamide
CID 11325679
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-7-chloroindolizine-2-carboxamide
CID 86272491
4-amino-N-(1-azabicyclo[2.2.2]octan-3-yl)-3-methylbenzamide
CID 16787826
N-(1-azabicyclo[2.2.2]octan-3-yl)-2-benzothiophene-5-carboxamide
CID 23529193
N-(1-azabicyclo[2.2.2]octan-3-yl)-4-cyanobenzamide
CID 24707260
3-amino-N-(1-azabicyclo[2.2.2]octan-3-yl)-4-methylbenzamide
CID 16793700
N-(1-azabicyclo[2.2.2]octan-3-yl)-3-bromo-4-methylbenzamide
CID 81472016
4-amino-N-(1-azabicyclo[2.2.2]octan-3-yl)-3-iodobenzamide
CID 58932943
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-4-nitrobenzamide
CID 11471353
3-(aminomethyl)-N-(1-azabicyclo[2.2.2]octan-3-yl)benzamide
CID 18069977

Frequently Asked Questions

What is the IUPAC name of N-(1-azabicyclo[2.2.2]octan-3-yl)-1-ethynylindolizine-7-carboxamide?
The IUPAC name of N-(1-azabicyclo[2.2.2]octan-3-yl)-1-ethynylindolizine-7-carboxamide (CID 22565579) is N-(1-azabicyclo[2.2.2]octan-3-yl)-1-ethynylindolizine-7-carboxamide.
What is the SMILES notation for N-(1-azabicyclo[2.2.2]octan-3-yl)-1-ethynylindolizine-7-carboxamide?
The canonical SMILES for N-(1-azabicyclo[2.2.2]octan-3-yl)-1-ethynylindolizine-7-carboxamide is C#Cc1ccn2ccc(C(=O)NC3CN4CCC3CC4)cc12.
What is the InChIKey of N-(1-azabicyclo[2.2.2]octan-3-yl)-1-ethynylindolizine-7-carboxamide?
The InChIKey is WONGWGGJUBKQRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O/c1-2-13-5-9-21-10-6-15(11-17(13)21)18(22)19-16-12-20-7-3-14(16)4-8-20/h1,5-6,9-11,14,16H,3-4,7-8,12H2,(H,19,22).
What are the key properties of N-(1-azabicyclo[2.2.2]octan-3-yl)-1-ethynylindolizine-7-carboxamide?
N-(1-azabicyclo[2.2.2]octan-3-yl)-1-ethynylindolizine-7-carboxamide has a molecular weight of 293.37 g/mol, XLogP of 1.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-azabicyclo[2.2.2]octan-3-yl)-1-ethynylindolizine-7-carboxamide is sourced from PubChem (CID 22565579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).