N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-8-bromoindolizine-2-carboxamide

C16H18BrN3O — CID 86272494

IUPACN-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-8-bromoindolizine-2-carboxamide
SMILESO=C(N[C@H]1CN2CCC1CC2)c1cc2c(Br)cccn2c1
InChIInChI=1S/C16H18BrN3O/c17-13-2-1-5-20-9-12(8-15(13)20)16(21)18-14-10-19-6-3-11(14)4-7-19/h1-2,5,8-9,11,14H,3-4,6-7,10H2,(H,18,21)/t14-/m0/s1
InChIKeyDKCVBAAMZABJON-AWEZNQCLSA-N
MW348.24 g/mol
LogP2.53
Rot. Bonds2

About N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-8-bromoindolizine-2-carboxamide

N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-8-bromoindolizine-2-carboxamide (PubChem CID 86272494) has the molecular formula C16H18BrN3O and a molecular weight of 348.24 g/mol. Its IUPAC name is N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-8-bromoindolizine-2-carboxamide.

Molecular Properties

Compound NameN-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-8-bromoindolizine-2-carboxamide
PubChem CID86272494
Molecular FormulaC16H18BrN3O
Molecular Weight348.24 g/mol
Exact Mass347.06
IUPAC NameN-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-8-bromoindolizine-2-carboxamide
SMILESO=C(N[C@H]1CN2CCC1CC2)c1cc2c(Br)cccn2c1
InChIInChI=1S/C16H18BrN3O/c17-13-2-1-5-20-9-12(8-15(13)20)16(21)18-14-10-19-6-3-11(14)4-7-19/h1-2,5,8-9,11,14H,3-4,6-7,10H2,(H,18,21)/t14-/m0/s1
InChIKeyDKCVBAAMZABJON-AWEZNQCLSA-N
XLogP2.53
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.24
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-8-bromoindolizine-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]-8-bromoindolizine-2-carboxamide?
The IUPAC name of N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-8-bromoindolizine-2-carboxamide (CID 86272494) is N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-8-bromoindolizine-2-carboxamide.
What is the SMILES notation for N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-8-bromoindolizine-2-carboxamide?
The canonical SMILES for N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-8-bromoindolizine-2-carboxamide is O=C(N[C@H]1CN2CCC1CC2)c1cc2c(Br)cccn2c1.
What is the InChIKey of N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-8-bromoindolizine-2-carboxamide?
The InChIKey is DKCVBAAMZABJON-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H18BrN3O/c17-13-2-1-5-20-9-12(8-15(13)20)16(21)18-14-10-19-6-3-11(14)4-7-19/h1-2,5,8-9,11,14H,3-4,6-7,10H2,(H,18,21)/t14-/m0/s1.
What are the key properties of N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-8-bromoindolizine-2-carboxamide?
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-8-bromoindolizine-2-carboxamide has a molecular weight of 348.24 g/mol, XLogP of 2.53, 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]-8-bromoindolizine-2-carboxamide is sourced from PubChem (CID 86272494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).