N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]indolizine-2-carboxamide

C16H19N3O — CID 86275818

IUPACN-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]indolizine-2-carboxamide
SMILESO=C(N[C@H]1CN2CCC1CC2)c1cc2ccccn2c1
InChIInChI=1S/C16H19N3O/c20-16(13-9-14-3-1-2-6-19(14)10-13)17-15-11-18-7-4-12(15)5-8-18/h1-3,6,9-10,12,15H,4-5,7-8,11H2,(H,17,20)/t15-/m0/s1
InChIKeyVIVFVHZSVMFOST-HNNXBMFYSA-N
MW269.35 g/mol
LogP1.76
Rot. Bonds2

About N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]indolizine-2-carboxamide

N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]indolizine-2-carboxamide (PubChem CID 86275818) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]indolizine-2-carboxamide.

Molecular Properties

Compound NameN-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]indolizine-2-carboxamide
PubChem CID86275818
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC NameN-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]indolizine-2-carboxamide
SMILESO=C(N[C@H]1CN2CCC1CC2)c1cc2ccccn2c1
InChIInChI=1S/C16H19N3O/c20-16(13-9-14-3-1-2-6-19(14)10-13)17-15-11-18-7-4-12(15)5-8-18/h1-3,6,9-10,12,15H,4-5,7-8,11H2,(H,17,20)/t15-/m0/s1
InChIKeyVIVFVHZSVMFOST-HNNXBMFYSA-N
XLogP1.76
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]indolizine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]indolizine-2-carboxamide?
The IUPAC name of N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]indolizine-2-carboxamide (CID 86275818) is N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]indolizine-2-carboxamide.
What is the SMILES notation for N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]indolizine-2-carboxamide?
The canonical SMILES for N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]indolizine-2-carboxamide is O=C(N[C@H]1CN2CCC1CC2)c1cc2ccccn2c1.
What is the InChIKey of N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]indolizine-2-carboxamide?
The InChIKey is VIVFVHZSVMFOST-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H19N3O/c20-16(13-9-14-3-1-2-6-19(14)10-13)17-15-11-18-7-4-12(15)5-8-18/h1-3,6,9-10,12,15H,4-5,7-8,11H2,(H,17,20)/t15-/m0/s1.
What are the key properties of N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]indolizine-2-carboxamide?
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]indolizine-2-carboxamide has a molecular weight of 269.35 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]indolizine-2-carboxamide is sourced from PubChem (CID 86275818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).