N-(4-amino-4-oxobutan-2-yl)-4-bromo-1-methylpyrrole-2-carboxamide

C10H14BrN3O2 — CID 115666649

IUPACN-(4-amino-4-oxobutan-2-yl)-4-bromo-1-methylpyrrole-2-carboxamide
SMILESCC(CC(N)=O)NC(=O)c1cc(Br)cn1C
InChIInChI=1S/C10H14BrN3O2/c1-6(3-9(12)15)13-10(16)8-4-7(11)5-14(8)2/h4-6H,3H2,1-2H3,(H2,12,15)(H,13,16)
InChIKeyYVMKCCGOCZOABO-UHFFFAOYSA-N
MW288.14 g/mol
LogP0.78
Rot. Bonds4

About N-(4-amino-4-oxobutan-2-yl)-4-bromo-1-methylpyrrole-2-carboxamide

N-(4-amino-4-oxobutan-2-yl)-4-bromo-1-methylpyrrole-2-carboxamide (PubChem CID 115666649) has the molecular formula C10H14BrN3O2 and a molecular weight of 288.14 g/mol. Its IUPAC name is N-(4-amino-4-oxobutan-2-yl)-4-bromo-1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(4-amino-4-oxobutan-2-yl)-4-bromo-1-methylpyrrole-2-carboxamide
PubChem CID115666649
Molecular FormulaC10H14BrN3O2
Molecular Weight288.14 g/mol
Exact Mass287.03
IUPAC NameN-(4-amino-4-oxobutan-2-yl)-4-bromo-1-methylpyrrole-2-carboxamide
SMILESCC(CC(N)=O)NC(=O)c1cc(Br)cn1C
InChIInChI=1S/C10H14BrN3O2/c1-6(3-9(12)15)13-10(16)8-4-7(11)5-14(8)2/h4-6H,3H2,1-2H3,(H2,12,15)(H,13,16)
InChIKeyYVMKCCGOCZOABO-UHFFFAOYSA-N
XLogP0.78
TPSA77.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.14
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-1-methyl-N-(4-methylpentan-2-yl)pyrrole-2-carboxamide
CID 43641586
4-bromo-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1-methylpyrrole-2-carboxamide
CID 79250303
(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
4-bromo-1-methyl-N-(2-methylpentan-3-yl)pyrrole-2-carboxamide
CID 61470818
4-bromo-N-(3,3-dimethylbutan-2-yl)-1-methylpyrrole-2-carboxamide
CID 115622756
N-[(2S)-1-amino-3,3-dimethyl-1-oxobutan-2-yl]-4-bromo-1-methylpyrrole-2-carboxamide
CID 136580526
methyl 2-[(4-bromo-1-methylpyrrole-2-carbonyl)amino]-3-methylpentanoate
CID 60701457
4-[(4-bromo-1-methylpyrrole-2-carbonyl)amino]-3-methylbutanoic acid
CID 81063480
methyl 2-[(4-bromo-1-methylpyrrole-2-carbonyl)amino]-3-hydroxypropanoate
CID 43409034
2-[(4-bromo-1-methylpyrrole-2-carbonyl)amino]-3-hydroxybutanoic acid
CID 43208807
4-bromo-1-methyl-N-[1-(4-propan-2-ylphenyl)ethyl]pyrrole-2-carboxamide
CID 60698414

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-4-oxobutan-2-yl)-4-bromo-1-methylpyrrole-2-carboxamide?
The IUPAC name of N-(4-amino-4-oxobutan-2-yl)-4-bromo-1-methylpyrrole-2-carboxamide (CID 115666649) is N-(4-amino-4-oxobutan-2-yl)-4-bromo-1-methylpyrrole-2-carboxamide.
What is the SMILES notation for N-(4-amino-4-oxobutan-2-yl)-4-bromo-1-methylpyrrole-2-carboxamide?
The canonical SMILES for N-(4-amino-4-oxobutan-2-yl)-4-bromo-1-methylpyrrole-2-carboxamide is CC(CC(N)=O)NC(=O)c1cc(Br)cn1C.
What is the InChIKey of N-(4-amino-4-oxobutan-2-yl)-4-bromo-1-methylpyrrole-2-carboxamide?
The InChIKey is YVMKCCGOCZOABO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrN3O2/c1-6(3-9(12)15)13-10(16)8-4-7(11)5-14(8)2/h4-6H,3H2,1-2H3,(H2,12,15)(H,13,16).
What are the key properties of N-(4-amino-4-oxobutan-2-yl)-4-bromo-1-methylpyrrole-2-carboxamide?
N-(4-amino-4-oxobutan-2-yl)-4-bromo-1-methylpyrrole-2-carboxamide has a molecular weight of 288.14 g/mol, XLogP of 0.78, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-4-oxobutan-2-yl)-4-bromo-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 115666649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).