N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-3-bromopyrrole-1-carboxamide

C11H14BrN3O — CID 90708250

IUPACN-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-3-bromopyrrole-1-carboxamide
SMILESO=C(N[C@@H]1C[C@H]2CC[C@@H]1N2)n1ccc(Br)c1
InChIInChI=1S/C11H14BrN3O/c12-7-3-4-15(6-7)11(16)14-10-5-8-1-2-9(10)13-8/h3-4,6,8-10,13H,1-2,5H2,(H,14,16)/t8-,9+,10-/m1/s1
InChIKeyLUWPQSUIXQSVDZ-KXUCPTDWSA-N
MW284.16 g/mol
LogP1.70
Rot. Bonds1

About N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-3-bromopyrrole-1-carboxamide

N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-3-bromopyrrole-1-carboxamide (PubChem CID 90708250) has the molecular formula C11H14BrN3O and a molecular weight of 284.16 g/mol. Its IUPAC name is N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-3-bromopyrrole-1-carboxamide.

Molecular Properties

Compound NameN-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-3-bromopyrrole-1-carboxamide
PubChem CID90708250
Molecular FormulaC11H14BrN3O
Molecular Weight284.16 g/mol
Exact Mass283.03
IUPAC NameN-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-3-bromopyrrole-1-carboxamide
SMILESO=C(N[C@@H]1C[C@H]2CC[C@@H]1N2)n1ccc(Br)c1
InChIInChI=1S/C11H14BrN3O/c12-7-3-4-15(6-7)11(16)14-10-5-8-1-2-9(10)13-8/h3-4,6,8-10,13H,1-2,5H2,(H,14,16)/t8-,9+,10-/m1/s1
InChIKeyLUWPQSUIXQSVDZ-KXUCPTDWSA-N
XLogP1.70
TPSA46.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.16
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-3-bromopyrrole-1-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-(7-azabicyclo[2.2.1]heptan-2-yl)-3-pyridin-2-ylpyrrole-1-carboxamide
CID 90775642
7-azabicyclo[2.2.1]heptan-2-ylcarbamic acid
CID 146382277
N-(7-azabicyclo[2.2.1]heptan-2-yl)imidazo[1,2-a]pyridine-6-carboxamide
CID 22565865
N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-4-(2-chlorophenyl)pyrazole-1-carboxamide
CID 91370029
N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-4-(2-methylphenyl)pyrazole-1-carboxamide
CID 91040334
N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-4-pyridin-2-ylpyrazole-1-carboxamide
CID 91084532
N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-4-(3-fluorophenyl)pyrazole-1-carboxamide
CID 90945287
N-(7-azabicyclo[2.2.1]heptan-2-yl)furan-2-carboxamide
CID 155850992
N-(7-azabicyclo[2.2.1]heptan-2-yl)-2-chloroindolizine-6-carboxamide
CID 22565743
N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-2-chloro-1-benzothiophene-5-carboxamide
CID 90872241
N-(7-azabicyclo[2.2.1]heptan-2-yl)-2-methylimidazo[1,2-a]pyridine-6-carboxamide
CID 22566087
N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-(3-bromophenyl)-1,3-thiazole-2-carboxamide
CID 70027522

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-3-bromopyrrole-1-carboxamide?
The IUPAC name of N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-3-bromopyrrole-1-carboxamide (CID 90708250) is N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-3-bromopyrrole-1-carboxamide.
What is the SMILES notation for N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-3-bromopyrrole-1-carboxamide?
The canonical SMILES for N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-3-bromopyrrole-1-carboxamide is O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2)n1ccc(Br)c1.
What is the InChIKey of N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-3-bromopyrrole-1-carboxamide?
The InChIKey is LUWPQSUIXQSVDZ-KXUCPTDWSA-N. The full InChI is InChI=1S/C11H14BrN3O/c12-7-3-4-15(6-7)11(16)14-10-5-8-1-2-9(10)13-8/h3-4,6,8-10,13H,1-2,5H2,(H,14,16)/t8-,9+,10-/m1/s1.
What are the key properties of N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-3-bromopyrrole-1-carboxamide?
N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-3-bromopyrrole-1-carboxamide has a molecular weight of 284.16 g/mol, XLogP of 1.70, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-3-bromopyrrole-1-carboxamide is sourced from PubChem (CID 90708250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).