N-(2-amino-2-cyclopropylethyl)-4-bromo-1-cyclopropylpyrrole-2-carboxamide

C13H18BrN3O — CID 113282136

IUPACN-(2-amino-2-cyclopropylethyl)-4-bromo-1-cyclopropylpyrrole-2-carboxamide
SMILESNC(CNC(=O)c1cc(Br)cn1C1CC1)C1CC1
InChIInChI=1S/C13H18BrN3O/c14-9-5-12(17(7-9)10-3-4-10)13(18)16-6-11(15)8-1-2-8/h5,7-8,10-11H,1-4,6,15H2,(H,16,18)
InChIKeyZWVFALUIZMSBBG-UHFFFAOYSA-N
MW312.21 g/mol
LogP2.05
Rot. Bonds5

About N-(2-amino-2-cyclopropylethyl)-4-bromo-1-cyclopropylpyrrole-2-carboxamide

N-(2-amino-2-cyclopropylethyl)-4-bromo-1-cyclopropylpyrrole-2-carboxamide (PubChem CID 113282136) has the molecular formula C13H18BrN3O and a molecular weight of 312.21 g/mol. Its IUPAC name is N-(2-amino-2-cyclopropylethyl)-4-bromo-1-cyclopropylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-cyclopropylethyl)-4-bromo-1-cyclopropylpyrrole-2-carboxamide
PubChem CID113282136
Molecular FormulaC13H18BrN3O
Molecular Weight312.21 g/mol
Exact Mass311.06
IUPAC NameN-(2-amino-2-cyclopropylethyl)-4-bromo-1-cyclopropylpyrrole-2-carboxamide
SMILESNC(CNC(=O)c1cc(Br)cn1C1CC1)C1CC1
InChIInChI=1S/C13H18BrN3O/c14-9-5-12(17(7-9)10-3-4-10)13(18)16-6-11(15)8-1-2-8/h5,7-8,10-11H,1-4,6,15H2,(H,16,18)
InChIKeyZWVFALUIZMSBBG-UHFFFAOYSA-N
XLogP2.05
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.21
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-1-cyclopropyl-N-(2,2-dimethoxyethyl)pyrrole-2-carboxamide
CID 61248178
4-bromo-1-cyclopropyl-N-(2-methoxyethyl)pyrrole-2-carboxamide
CID 43640614
4-bromo-1-cyclopropyl-N-[2-(propylamino)ethyl]pyrrole-2-carboxamide
CID 62659546
4-bromo-1-cyclopropyl-N-(2-ethylsulfonylethyl)pyrrole-2-carboxamide
CID 114111098
4-bromo-1-cyclopropyl-N-[2-(dimethylcarbamoylamino)ethyl]pyrrole-2-carboxamide
CID 83121332
4-bromo-1-cyclopropyl-N-(3-methoxypropyl)pyrrole-2-carboxamide
CID 43641446
N-(2-amino-1-cyclohexylethyl)-4-bromo-1-cyclopropylpyrrole-2-carboxamide
CID 115309213
N-(azetidin-3-yl)-4-bromo-1-cyclopropylpyrrole-2-carboxamide
CID 66187704
N-(1-amino-1-oxopropan-2-yl)-4-bromo-1-cyclopropylpyrrole-2-carboxamide
CID 43641687
4-bromo-1-cyclopropyl-N-[2-(dimethylamino)-2-methylpropyl]pyrrole-2-carboxamide
CID 61249209
4-bromo-1-cyclopropyl-N-(3,5-dimethylphenyl)pyrrole-2-carboxamide
CID 43641085
N-(2-aminocyclopropyl)-4-bromo-1-cyclopropylpyrrole-2-carboxamide
CID 43640446

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-cyclopropylethyl)-4-bromo-1-cyclopropylpyrrole-2-carboxamide?
The IUPAC name of N-(2-amino-2-cyclopropylethyl)-4-bromo-1-cyclopropylpyrrole-2-carboxamide (CID 113282136) is N-(2-amino-2-cyclopropylethyl)-4-bromo-1-cyclopropylpyrrole-2-carboxamide.
What is the SMILES notation for N-(2-amino-2-cyclopropylethyl)-4-bromo-1-cyclopropylpyrrole-2-carboxamide?
The canonical SMILES for N-(2-amino-2-cyclopropylethyl)-4-bromo-1-cyclopropylpyrrole-2-carboxamide is NC(CNC(=O)c1cc(Br)cn1C1CC1)C1CC1.
What is the InChIKey of N-(2-amino-2-cyclopropylethyl)-4-bromo-1-cyclopropylpyrrole-2-carboxamide?
The InChIKey is ZWVFALUIZMSBBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrN3O/c14-9-5-12(17(7-9)10-3-4-10)13(18)16-6-11(15)8-1-2-8/h5,7-8,10-11H,1-4,6,15H2,(H,16,18).
What are the key properties of N-(2-amino-2-cyclopropylethyl)-4-bromo-1-cyclopropylpyrrole-2-carboxamide?
N-(2-amino-2-cyclopropylethyl)-4-bromo-1-cyclopropylpyrrole-2-carboxamide has a molecular weight of 312.21 g/mol, XLogP of 2.05, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-cyclopropylethyl)-4-bromo-1-cyclopropylpyrrole-2-carboxamide is sourced from PubChem (CID 113282136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).