4-bromo-N-[3-(methylamino)-3-oxopropyl]-1H-pyrrole-2-carboxamide

C9H12BrN3O2 — CID 47356127

IUPAC4-bromo-N-[3-(methylamino)-3-oxopropyl]-1H-pyrrole-2-carboxamide
SMILESCNC(=O)CCNC(=O)c1cc(Br)c[nH]1
InChIInChI=1S/C9H12BrN3O2/c1-11-8(14)2-3-12-9(15)7-4-6(10)5-13-7/h4-5,13H,2-3H2,1H3,(H,11,14)(H,12,15)
InChIKeyWZNGCIWGLOUICM-UHFFFAOYSA-N
MW274.12 g/mol
LogP0.64
Rot. Bonds4

About 4-bromo-N-[3-(methylamino)-3-oxopropyl]-1H-pyrrole-2-carboxamide

4-bromo-N-[3-(methylamino)-3-oxopropyl]-1H-pyrrole-2-carboxamide (PubChem CID 47356127) has the molecular formula C9H12BrN3O2 and a molecular weight of 274.12 g/mol. Its IUPAC name is 4-bromo-N-[3-(methylamino)-3-oxopropyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-[3-(methylamino)-3-oxopropyl]-1H-pyrrole-2-carboxamide
PubChem CID47356127
Molecular FormulaC9H12BrN3O2
Molecular Weight274.12 g/mol
Exact Mass273.01
IUPAC Name4-bromo-N-[3-(methylamino)-3-oxopropyl]-1H-pyrrole-2-carboxamide
SMILESCNC(=O)CCNC(=O)c1cc(Br)c[nH]1
InChIInChI=1S/C9H12BrN3O2/c1-11-8(14)2-3-12-9(15)7-4-6(10)5-13-7/h4-5,13H,2-3H2,1H3,(H,11,14)(H,12,15)
InChIKeyWZNGCIWGLOUICM-UHFFFAOYSA-N
XLogP0.64
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.12
LogP ≤ 50.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-amino-4-oxobutyl)-4-bromo-1H-pyrrole-2-carboxamide
CID 47191038
4-bromo-N-[2-(dimethylcarbamoylamino)ethyl]-1H-pyrrole-2-carboxamide
CID 83120766
N-(3-aminopropyl)-4-bromo-1H-pyrrole-2-carboxamide
CID 61249115
4-bromo-N-[3-(ethylamino)propyl]-1H-pyrrole-2-carboxamide
CID 43601766
4-bromo-N-(3-methylsulfonylpropyl)-1H-pyrrole-2-carboxamide
CID 55139504
4-bromo-N-(2-hydroxy-2-methylpropyl)-1H-pyrrole-2-carboxamide
CID 65111935
4-bromo-N-(3-ethoxypropyl)-1H-pyrrole-2-carboxamide
CID 18108948
4-bromo-N-[2-(2-methylpropoxy)ethyl]-1H-pyrrole-2-carboxamide
CID 115589400
N-[3-[2-(4-bromo-1H-pyrrole-2-carbonyl)hydrazinyl]-3-oxopropyl]-2-phenylacetamide
CID 33472385
4-bromo-N-(3-morpholin-4-yl-3-oxopropyl)-1H-pyrrole-2-carboxamide
CID 47159960
4-bromo-N-(2-chloroacetyl)-1H-pyrrole-2-carboxamide
CID 28893206
4-bromo-N-(3-cyclopropylpropyl)-1H-pyrrole-2-carboxamide
CID 115637079

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[3-(methylamino)-3-oxopropyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-bromo-N-[3-(methylamino)-3-oxopropyl]-1H-pyrrole-2-carboxamide (CID 47356127) is 4-bromo-N-[3-(methylamino)-3-oxopropyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-N-[3-(methylamino)-3-oxopropyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-N-[3-(methylamino)-3-oxopropyl]-1H-pyrrole-2-carboxamide is CNC(=O)CCNC(=O)c1cc(Br)c[nH]1.
What is the InChIKey of 4-bromo-N-[3-(methylamino)-3-oxopropyl]-1H-pyrrole-2-carboxamide?
The InChIKey is WZNGCIWGLOUICM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrN3O2/c1-11-8(14)2-3-12-9(15)7-4-6(10)5-13-7/h4-5,13H,2-3H2,1H3,(H,11,14)(H,12,15).
What are the key properties of 4-bromo-N-[3-(methylamino)-3-oxopropyl]-1H-pyrrole-2-carboxamide?
4-bromo-N-[3-(methylamino)-3-oxopropyl]-1H-pyrrole-2-carboxamide has a molecular weight of 274.12 g/mol, XLogP of 0.64, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[3-(methylamino)-3-oxopropyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 47356127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).