4-bromo-N-[3-(dimethylamino)propyl]-N,1-dimethylpyrrole-2-carboxamide

C12H20BrN3O — CID 63693703

IUPAC4-bromo-N-[3-(dimethylamino)propyl]-N,1-dimethylpyrrole-2-carboxamide
SMILESCN(C)CCCN(C)C(=O)c1cc(Br)cn1C
InChIInChI=1S/C12H20BrN3O/c1-14(2)6-5-7-15(3)12(17)11-8-10(13)9-16(11)4/h8-9H,5-7H2,1-4H3
InChIKeyYVTOXFRFWACHHM-UHFFFAOYSA-N
MW302.22 g/mol
LogP1.81
Rot. Bonds5

About 4-bromo-N-[3-(dimethylamino)propyl]-N,1-dimethylpyrrole-2-carboxamide

4-bromo-N-[3-(dimethylamino)propyl]-N,1-dimethylpyrrole-2-carboxamide (PubChem CID 63693703) has the molecular formula C12H20BrN3O and a molecular weight of 302.22 g/mol. Its IUPAC name is 4-bromo-N-[3-(dimethylamino)propyl]-N,1-dimethylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-[3-(dimethylamino)propyl]-N,1-dimethylpyrrole-2-carboxamide
PubChem CID63693703
Molecular FormulaC12H20BrN3O
Molecular Weight302.22 g/mol
Exact Mass301.08
IUPAC Name4-bromo-N-[3-(dimethylamino)propyl]-N,1-dimethylpyrrole-2-carboxamide
SMILESCN(C)CCCN(C)C(=O)c1cc(Br)cn1C
InChIInChI=1S/C12H20BrN3O/c1-14(2)6-5-7-15(3)12(17)11-8-10(13)9-16(11)4/h8-9H,5-7H2,1-4H3
InChIKeyYVTOXFRFWACHHM-UHFFFAOYSA-N
XLogP1.81
TPSA28.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.22
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-(2-hydroxyethyl)-N,1-dimethylpyrrole-2-carboxamide
CID 60702158
4-bromo-N,1-dimethyl-N-(2-thiophen-2-ylethyl)pyrrole-2-carboxamide
CID 79036710
N-(3-amino-2,2-dimethylpropyl)-4-bromo-N,1-dimethylpyrrole-2-carboxamide
CID 79652794
4-bromo-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N,1-dimethylpyrrole-2-carboxamide
CID 60956041
4-bromo-N-ethyl-1-methyl-N-propan-2-ylpyrrole-2-carboxamide
CID 43641486
4-bromo-N-[(2,4-dichlorophenyl)methyl]-N,1-dimethylpyrrole-2-carboxamide
CID 60698328
N-(3-aminopropyl)-4-bromo-1-cyclopropyl-N-methylpyrrole-2-carboxamide
CID 115318950
4-bromo-N-hexyl-N-(2-hydroxyethyl)-1-methylpyrrole-2-carboxamide
CID 54878088
4-[(4-bromo-1-propan-2-ylpyrrole-2-carbonyl)-methylamino]butanoic acid
CID 43640140
methyl 4-[(4-bromo-1-propylpyrrole-2-carbonyl)-methylamino]butanoate
CID 60954961
4-bromo-N-[3-(dimethylamino)propyl]-2-hydroxy-N-methylbenzamide
CID 55228118
N-(3-aminopropyl)-N-benzyl-4-bromo-1-methylpyrrole-2-carboxamide;hydrochloride
CID 120648433

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[3-(dimethylamino)propyl]-N,1-dimethylpyrrole-2-carboxamide?
The IUPAC name of 4-bromo-N-[3-(dimethylamino)propyl]-N,1-dimethylpyrrole-2-carboxamide (CID 63693703) is 4-bromo-N-[3-(dimethylamino)propyl]-N,1-dimethylpyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-N-[3-(dimethylamino)propyl]-N,1-dimethylpyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-N-[3-(dimethylamino)propyl]-N,1-dimethylpyrrole-2-carboxamide is CN(C)CCCN(C)C(=O)c1cc(Br)cn1C.
What is the InChIKey of 4-bromo-N-[3-(dimethylamino)propyl]-N,1-dimethylpyrrole-2-carboxamide?
The InChIKey is YVTOXFRFWACHHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20BrN3O/c1-14(2)6-5-7-15(3)12(17)11-8-10(13)9-16(11)4/h8-9H,5-7H2,1-4H3.
What are the key properties of 4-bromo-N-[3-(dimethylamino)propyl]-N,1-dimethylpyrrole-2-carboxamide?
4-bromo-N-[3-(dimethylamino)propyl]-N,1-dimethylpyrrole-2-carboxamide has a molecular weight of 302.22 g/mol, XLogP of 1.81, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[3-(dimethylamino)propyl]-N,1-dimethylpyrrole-2-carboxamide is sourced from PubChem (CID 63693703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).