N-(8-azabicyclo[3.2.1]octan-3-yl)-4-bromo-N-ethyl-1H-pyrrole-2-carboxamide

C14H20BrN3O — CID 61230753

IUPACN-(8-azabicyclo[3.2.1]octan-3-yl)-4-bromo-N-ethyl-1H-pyrrole-2-carboxamide
SMILESCCN(C(=O)c1cc(Br)c[nH]1)C1CC2CCC(C1)N2
InChIInChI=1S/C14H20BrN3O/c1-2-18(14(19)13-5-9(15)8-16-13)12-6-10-3-4-11(7-12)17-10/h5,8,10-12,16-17H,2-4,6-7H2,1H3
InChIKeyMVPPILVEYLUORV-UHFFFAOYSA-N
MW326.24 g/mol
LogP2.52
Rot. Bonds3

About N-(8-azabicyclo[3.2.1]octan-3-yl)-4-bromo-N-ethyl-1H-pyrrole-2-carboxamide

N-(8-azabicyclo[3.2.1]octan-3-yl)-4-bromo-N-ethyl-1H-pyrrole-2-carboxamide (PubChem CID 61230753) has the molecular formula C14H20BrN3O and a molecular weight of 326.24 g/mol. Its IUPAC name is N-(8-azabicyclo[3.2.1]octan-3-yl)-4-bromo-N-ethyl-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(8-azabicyclo[3.2.1]octan-3-yl)-4-bromo-N-ethyl-1H-pyrrole-2-carboxamide
PubChem CID61230753
Molecular FormulaC14H20BrN3O
Molecular Weight326.24 g/mol
Exact Mass325.08
IUPAC NameN-(8-azabicyclo[3.2.1]octan-3-yl)-4-bromo-N-ethyl-1H-pyrrole-2-carboxamide
SMILESCCN(C(=O)c1cc(Br)c[nH]1)C1CC2CCC(C1)N2
InChIInChI=1S/C14H20BrN3O/c1-2-18(14(19)13-5-9(15)8-16-13)12-6-10-3-4-11(7-12)17-10/h5,8,10-12,16-17H,2-4,6-7H2,1H3
InChIKeyMVPPILVEYLUORV-UHFFFAOYSA-N
XLogP2.52
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.24
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(8-azabicyclo[3.2.1]octan-3-yl)-4-bromo-N-ethyl-1H-pyrrole-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

Related Compounds

N-(8-azabicyclo[3.2.1]octan-3-yl)-4,5-dibromo-N-ethylthiophene-2-carboxamide
CID 80537937
4-bromo-N-cyclopentyl-N-(2-hydroxyethyl)-1H-pyrrole-2-carboxamide
CID 60955759
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-bromo-N-ethylbenzamide
CID 61230371
4-bromo-N-cyclohexyl-N-(2-hydroxyethyl)-1H-pyrrole-2-carboxamide
CID 54942689
4-bromo-N-(2-hydroxyethyl)-N-(1-methylpiperidin-4-yl)-1H-pyrrole-2-carboxamide
CID 54877994
N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-2-oxo-1H-pyridine-3-carboxamide
CID 61231892
N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-3,4-dimethylbenzamide
CID 61231900
N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethylpyridine-4-carboxamide
CID 61230749
N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-3,4-difluorobenzamide
CID 61231707
N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-1,3-thiazole-4-carboxamide
CID 55145232
N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethylpyridine-2-carboxamide
CID 61230562
N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-5-methylfuran-2-carboxamide
CID 61231129

Frequently Asked Questions

What is the IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-4-bromo-N-ethyl-1H-pyrrole-2-carboxamide?
The IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-4-bromo-N-ethyl-1H-pyrrole-2-carboxamide (CID 61230753) is N-(8-azabicyclo[3.2.1]octan-3-yl)-4-bromo-N-ethyl-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-(8-azabicyclo[3.2.1]octan-3-yl)-4-bromo-N-ethyl-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-(8-azabicyclo[3.2.1]octan-3-yl)-4-bromo-N-ethyl-1H-pyrrole-2-carboxamide is CCN(C(=O)c1cc(Br)c[nH]1)C1CC2CCC(C1)N2.
What is the InChIKey of N-(8-azabicyclo[3.2.1]octan-3-yl)-4-bromo-N-ethyl-1H-pyrrole-2-carboxamide?
The InChIKey is MVPPILVEYLUORV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN3O/c1-2-18(14(19)13-5-9(15)8-16-13)12-6-10-3-4-11(7-12)17-10/h5,8,10-12,16-17H,2-4,6-7H2,1H3.
What are the key properties of N-(8-azabicyclo[3.2.1]octan-3-yl)-4-bromo-N-ethyl-1H-pyrrole-2-carboxamide?
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-bromo-N-ethyl-1H-pyrrole-2-carboxamide has a molecular weight of 326.24 g/mol, XLogP of 2.52, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-azabicyclo[3.2.1]octan-3-yl)-4-bromo-N-ethyl-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 61230753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).