4-bromo-N-[[1-(dimethylamino)cyclobutyl]methyl]-1-methylpyrrole-2-carboxamide

C13H20BrN3O — CID 105418231

IUPAC4-bromo-N-[[1-(dimethylamino)cyclobutyl]methyl]-1-methylpyrrole-2-carboxamide
SMILESCN(C)C1(CNC(=O)c2cc(Br)cn2C)CCC1
InChIInChI=1S/C13H20BrN3O/c1-16(2)13(5-4-6-13)9-15-12(18)11-7-10(14)8-17(11)3/h7-8H,4-6,9H2,1-3H3,(H,15,18)
InChIKeyCLUMVUVVPVMSSU-UHFFFAOYSA-N
MW314.23 g/mol
LogP2.00
Rot. Bonds4

About 4-bromo-N-[[1-(dimethylamino)cyclobutyl]methyl]-1-methylpyrrole-2-carboxamide

4-bromo-N-[[1-(dimethylamino)cyclobutyl]methyl]-1-methylpyrrole-2-carboxamide (PubChem CID 105418231) has the molecular formula C13H20BrN3O and a molecular weight of 314.23 g/mol. Its IUPAC name is 4-bromo-N-[[1-(dimethylamino)cyclobutyl]methyl]-1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-[[1-(dimethylamino)cyclobutyl]methyl]-1-methylpyrrole-2-carboxamide
PubChem CID105418231
Molecular FormulaC13H20BrN3O
Molecular Weight314.23 g/mol
Exact Mass313.08
IUPAC Name4-bromo-N-[[1-(dimethylamino)cyclobutyl]methyl]-1-methylpyrrole-2-carboxamide
SMILESCN(C)C1(CNC(=O)c2cc(Br)cn2C)CCC1
InChIInChI=1S/C13H20BrN3O/c1-16(2)13(5-4-6-13)9-15-12(18)11-7-10(14)8-17(11)3/h7-8H,4-6,9H2,1-3H3,(H,15,18)
InChIKeyCLUMVUVVPVMSSU-UHFFFAOYSA-N
XLogP2.00
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.23
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-bromo-N-[[1-(dimethylamino)cyclobutyl]methyl]-1-methylpyrrole-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

4-bromo-1-methyl-N-[(1-methylcyclopropyl)methyl]pyrrole-2-carboxamide
CID 103722169
4-bromo-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-1-methylpyrrole-2-carboxamide
CID 65119775
4-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-1-methylpyrrole-2-carboxamide
CID 61210970
4-bromo-1-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]pyrrole-2-carboxamide
CID 60701907
4-bromo-1-methyl-N-(1-methylcyclopropyl)pyrrole-2-carboxamide
CID 115634355
4-bromo-1-methyl-N-(1-methylcyclohexyl)pyrrole-2-carboxamide
CID 61229345
4-bromo-1-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]pyrrole-2-carboxamide
CID 60712476
3-amino-5-bromo-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-methylbenzamide
CID 107873217
4-bromo-N-(2-hydroxy-2-methylpropyl)-1-methylpyrrole-2-carboxamide
CID 65111825
4-bromo-1-ethyl-N-[(1-methylcyclobutyl)methyl]pyrrole-2-carboxamide
CID 103737464
4-bromo-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-1-methylpyrrole-2-carboxamide
CID 103839927
4-bromo-1-methyl-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]pyrrole-2-carboxamide
CID 104955320

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[[1-(dimethylamino)cyclobutyl]methyl]-1-methylpyrrole-2-carboxamide?
The IUPAC name of 4-bromo-N-[[1-(dimethylamino)cyclobutyl]methyl]-1-methylpyrrole-2-carboxamide (CID 105418231) is 4-bromo-N-[[1-(dimethylamino)cyclobutyl]methyl]-1-methylpyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-N-[[1-(dimethylamino)cyclobutyl]methyl]-1-methylpyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-N-[[1-(dimethylamino)cyclobutyl]methyl]-1-methylpyrrole-2-carboxamide is CN(C)C1(CNC(=O)c2cc(Br)cn2C)CCC1.
What is the InChIKey of 4-bromo-N-[[1-(dimethylamino)cyclobutyl]methyl]-1-methylpyrrole-2-carboxamide?
The InChIKey is CLUMVUVVPVMSSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrN3O/c1-16(2)13(5-4-6-13)9-15-12(18)11-7-10(14)8-17(11)3/h7-8H,4-6,9H2,1-3H3,(H,15,18).
What are the key properties of 4-bromo-N-[[1-(dimethylamino)cyclobutyl]methyl]-1-methylpyrrole-2-carboxamide?
4-bromo-N-[[1-(dimethylamino)cyclobutyl]methyl]-1-methylpyrrole-2-carboxamide has a molecular weight of 314.23 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[[1-(dimethylamino)cyclobutyl]methyl]-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 105418231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).