N-(2-azabicyclo[2.2.1]heptan-5-yl)-3-bromoindolizine-7-carboxamide

C15H16BrN3O — CID 22565606

IUPACN-(2-azabicyclo[2.2.1]heptan-5-yl)-3-bromoindolizine-7-carboxamide
SMILESO=C(NC1CC2CC1CN2)c1ccn2c(Br)ccc2c1
InChIInChI=1S/C15H16BrN3O/c16-14-2-1-12-6-9(3-4-19(12)14)15(20)18-13-7-11-5-10(13)8-17-11/h1-4,6,10-11,13,17H,5,7-8H2,(H,18,20)
InChIKeyQYRDWUHVZNAHLZ-UHFFFAOYSA-N
MW334.22 g/mol
LogP2.18
Rot. Bonds2

About N-(2-azabicyclo[2.2.1]heptan-5-yl)-3-bromoindolizine-7-carboxamide

N-(2-azabicyclo[2.2.1]heptan-5-yl)-3-bromoindolizine-7-carboxamide (PubChem CID 22565606) has the molecular formula C15H16BrN3O and a molecular weight of 334.22 g/mol. Its IUPAC name is N-(2-azabicyclo[2.2.1]heptan-5-yl)-3-bromoindolizine-7-carboxamide.

Molecular Properties

Compound NameN-(2-azabicyclo[2.2.1]heptan-5-yl)-3-bromoindolizine-7-carboxamide
PubChem CID22565606
Molecular FormulaC15H16BrN3O
Molecular Weight334.22 g/mol
Exact Mass333.05
IUPAC NameN-(2-azabicyclo[2.2.1]heptan-5-yl)-3-bromoindolizine-7-carboxamide
SMILESO=C(NC1CC2CC1CN2)c1ccn2c(Br)ccc2c1
InChIInChI=1S/C15H16BrN3O/c16-14-2-1-12-6-9(3-4-19(12)14)15(20)18-13-7-11-5-10(13)8-17-11/h1-4,6,10-11,13,17H,5,7-8H2,(H,18,20)
InChIKeyQYRDWUHVZNAHLZ-UHFFFAOYSA-N
XLogP2.18
TPSA45.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.22
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(2-azabicyclo[2.2.1]heptan-5-yl)-3-bromoindolizine-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-[(1S,4R,5S)-2-azabicyclo[2.2.1]heptan-5-yl]imidazo[1,5-a]pyridine-6-carboxamide
CID 98077637
N-[(1R,4R,5R)-2-azabicyclo[2.2.1]heptan-5-yl]imidazo[1,5-a]pyridine-6-carboxamide
CID 93499231
N-[(1S,4R,5R)-2-azabicyclo[2.2.1]heptan-5-yl]-1-benzofuran-6-carboxamide
CID 98077658
N-(2-azabicyclo[2.2.1]heptan-5-yl)-1H-indazole-6-carboxamide
CID 10192822
N-[(1R,4S,5S)-2-azabicyclo[2.2.1]heptan-5-yl]-1-benzofuran-6-carboxamide
CID 129449962
N-(2-azabicyclo[2.2.1]heptan-5-yl)-3,4-dihydro-2H-chromene-7-carboxamide
CID 22313280
4-(4-acetylphenoxy)-N-(2-azabicyclo[2.2.1]heptan-5-yl)benzamide
CID 22573485
N-[(1R,4R,5R)-2-azabicyclo[2.2.1]heptan-5-yl]imidazo[1,2-a]pyridine-6-carboxamide
CID 93499229
N-(2-azabicyclo[2.2.1]heptan-5-yl)-2-cyano-1-benzofuran-6-carboxamide
CID 10171624
2-azabicyclo[2.2.1]heptan-5-ylcarbamic acid
CID 77430826
N-(2-azabicyclo[2.2.1]heptan-5-yl)-6-cyanopyrrolo[1,2-a]pyrazine-3-carboxamide
CID 22565556
N-[(1R,4R,5S)-2-azabicyclo[2.2.1]heptan-5-yl]imidazo[1,2-c]pyrimidine-7-carboxamide
CID 93499254

Frequently Asked Questions

What is the IUPAC name of N-(2-azabicyclo[2.2.1]heptan-5-yl)-3-bromoindolizine-7-carboxamide?
The IUPAC name of N-(2-azabicyclo[2.2.1]heptan-5-yl)-3-bromoindolizine-7-carboxamide (CID 22565606) is N-(2-azabicyclo[2.2.1]heptan-5-yl)-3-bromoindolizine-7-carboxamide.
What is the SMILES notation for N-(2-azabicyclo[2.2.1]heptan-5-yl)-3-bromoindolizine-7-carboxamide?
The canonical SMILES for N-(2-azabicyclo[2.2.1]heptan-5-yl)-3-bromoindolizine-7-carboxamide is O=C(NC1CC2CC1CN2)c1ccn2c(Br)ccc2c1.
What is the InChIKey of N-(2-azabicyclo[2.2.1]heptan-5-yl)-3-bromoindolizine-7-carboxamide?
The InChIKey is QYRDWUHVZNAHLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN3O/c16-14-2-1-12-6-9(3-4-19(12)14)15(20)18-13-7-11-5-10(13)8-17-11/h1-4,6,10-11,13,17H,5,7-8H2,(H,18,20).
What are the key properties of N-(2-azabicyclo[2.2.1]heptan-5-yl)-3-bromoindolizine-7-carboxamide?
N-(2-azabicyclo[2.2.1]heptan-5-yl)-3-bromoindolizine-7-carboxamide has a molecular weight of 334.22 g/mol, XLogP of 2.18, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-azabicyclo[2.2.1]heptan-5-yl)-3-bromoindolizine-7-carboxamide is sourced from PubChem (CID 22565606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).