4-bromo-1-methyl-N-(4-methylpiperazin-1-yl)pyrrole-2-carboxamide

C11H17BrN4O — CID 115279131

IUPAC4-bromo-1-methyl-N-(4-methylpiperazin-1-yl)pyrrole-2-carboxamide
SMILESCN1CCN(NC(=O)c2cc(Br)cn2C)CC1
InChIInChI=1S/C11H17BrN4O/c1-14-3-5-16(6-4-14)13-11(17)10-7-9(12)8-15(10)2/h7-8H,3-6H2,1-2H3,(H,13,17)
InChIKeyQHKNOPCITONSEV-UHFFFAOYSA-N
MW301.19 g/mol
LogP0.68
Rot. Bonds2

About 4-bromo-1-methyl-N-(4-methylpiperazin-1-yl)pyrrole-2-carboxamide

4-bromo-1-methyl-N-(4-methylpiperazin-1-yl)pyrrole-2-carboxamide (PubChem CID 115279131) has the molecular formula C11H17BrN4O and a molecular weight of 301.19 g/mol. Its IUPAC name is 4-bromo-1-methyl-N-(4-methylpiperazin-1-yl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-1-methyl-N-(4-methylpiperazin-1-yl)pyrrole-2-carboxamide
PubChem CID115279131
Molecular FormulaC11H17BrN4O
Molecular Weight301.19 g/mol
Exact Mass300.06
IUPAC Name4-bromo-1-methyl-N-(4-methylpiperazin-1-yl)pyrrole-2-carboxamide
SMILESCN1CCN(NC(=O)c2cc(Br)cn2C)CC1
InChIInChI=1S/C11H17BrN4O/c1-14-3-5-16(6-4-14)13-11(17)10-7-9(12)8-15(10)2/h7-8H,3-6H2,1-2H3,(H,13,17)
InChIKeyQHKNOPCITONSEV-UHFFFAOYSA-N
XLogP0.68
TPSA40.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.19
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-1-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]pyrrole-2-carboxamide
CID 60701907
4-bromo-1-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]pyrrole-2-carboxamide
CID 60712476
4-bromo-1-methyl-N-(1-methylcyclopropyl)pyrrole-2-carboxamide
CID 115634355
4-bromo-N-piperidin-1-yl-1-propylpyrrole-2-carboxamide
CID 83017011
4-bromo-1-methyl-N-(2-methylcyclopropyl)pyrrole-2-carboxamide
CID 62408030
4-bromo-1-methyl-N-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
CID 99837354
(2R)-2-[(4-bromo-1-methylpyrrole-2-carbonyl)amino]propanoic acid
CID 30063046
(2S)-2-[(4-bromo-1-methylpyrrole-2-carbonyl)amino]propanoic acid
CID 30063050
2-bromo-4-methyl-N-(4-methylpiperazin-1-yl)benzamide
CID 83016178
4-bromo-1-methyl-N-(1-methylcyclohexyl)pyrrole-2-carboxamide
CID 61229345
2-[(4-bromo-1-methylpyrrole-2-carbonyl)amino]-3-hydroxybutanoic acid
CID 43208807
4-bromo-1-methyl-N-[(1-methylcyclopropyl)methyl]pyrrole-2-carboxamide
CID 103722169

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-methyl-N-(4-methylpiperazin-1-yl)pyrrole-2-carboxamide?
The IUPAC name of 4-bromo-1-methyl-N-(4-methylpiperazin-1-yl)pyrrole-2-carboxamide (CID 115279131) is 4-bromo-1-methyl-N-(4-methylpiperazin-1-yl)pyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-1-methyl-N-(4-methylpiperazin-1-yl)pyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-1-methyl-N-(4-methylpiperazin-1-yl)pyrrole-2-carboxamide is CN1CCN(NC(=O)c2cc(Br)cn2C)CC1.
What is the InChIKey of 4-bromo-1-methyl-N-(4-methylpiperazin-1-yl)pyrrole-2-carboxamide?
The InChIKey is QHKNOPCITONSEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN4O/c1-14-3-5-16(6-4-14)13-11(17)10-7-9(12)8-15(10)2/h7-8H,3-6H2,1-2H3,(H,13,17).
What are the key properties of 4-bromo-1-methyl-N-(4-methylpiperazin-1-yl)pyrrole-2-carboxamide?
4-bromo-1-methyl-N-(4-methylpiperazin-1-yl)pyrrole-2-carboxamide has a molecular weight of 301.19 g/mol, XLogP of 0.68, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-methyl-N-(4-methylpiperazin-1-yl)pyrrole-2-carboxamide is sourced from PubChem (CID 115279131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).