4-bromo-N-[2-(dimethylcarbamoylamino)ethyl]-1H-pyrrole-2-carboxamide

C10H15BrN4O2 — CID 83120766

IUPAC4-bromo-N-[2-(dimethylcarbamoylamino)ethyl]-1H-pyrrole-2-carboxamide
SMILESCN(C)C(=O)NCCNC(=O)c1cc(Br)c[nH]1
InChIInChI=1S/C10H15BrN4O2/c1-15(2)10(17)13-4-3-12-9(16)8-5-7(11)6-14-8/h5-6,14H,3-4H2,1-2H3,(H,12,16)(H,13,17)
InChIKeyNBEICCKHUUEKCP-UHFFFAOYSA-N
MW303.16 g/mol
LogP0.78
Rot. Bonds4

About 4-bromo-N-[2-(dimethylcarbamoylamino)ethyl]-1H-pyrrole-2-carboxamide

4-bromo-N-[2-(dimethylcarbamoylamino)ethyl]-1H-pyrrole-2-carboxamide (PubChem CID 83120766) has the molecular formula C10H15BrN4O2 and a molecular weight of 303.16 g/mol. Its IUPAC name is 4-bromo-N-[2-(dimethylcarbamoylamino)ethyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-[2-(dimethylcarbamoylamino)ethyl]-1H-pyrrole-2-carboxamide
PubChem CID83120766
Molecular FormulaC10H15BrN4O2
Molecular Weight303.16 g/mol
Exact Mass302.04
IUPAC Name4-bromo-N-[2-(dimethylcarbamoylamino)ethyl]-1H-pyrrole-2-carboxamide
SMILESCN(C)C(=O)NCCNC(=O)c1cc(Br)c[nH]1
InChIInChI=1S/C10H15BrN4O2/c1-15(2)10(17)13-4-3-12-9(16)8-5-7(11)6-14-8/h5-6,14H,3-4H2,1-2H3,(H,12,16)(H,13,17)
InChIKeyNBEICCKHUUEKCP-UHFFFAOYSA-N
XLogP0.78
TPSA77.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.16
LogP ≤ 50.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-bromo-N-[2-[cyclopropyl(methyl)amino]ethyl]-1H-pyrrole-2-carboxamide
CID 47940069
4-bromo-N-[3-(methylamino)-3-oxopropyl]-1H-pyrrole-2-carboxamide
CID 47356127
N-(3-aminopropyl)-4-bromo-1H-pyrrole-2-carboxamide
CID 61249115
4-bromo-N-[3-(ethylamino)propyl]-1H-pyrrole-2-carboxamide
CID 43601766
N-(4-amino-4-oxobutyl)-4-bromo-1H-pyrrole-2-carboxamide
CID 47191038
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
4-bromo-N-(3-cyclopropylpropyl)-1H-pyrrole-2-carboxamide
CID 115637079
4-bromo-N-methoxy-1H-pyrrole-2-carboxamide
CID 103608505
3-bromo-N-[2-(dimethylcarbamoylamino)ethyl]-5-methylbenzamide
CID 104852958

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[2-(dimethylcarbamoylamino)ethyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-bromo-N-[2-(dimethylcarbamoylamino)ethyl]-1H-pyrrole-2-carboxamide (CID 83120766) is 4-bromo-N-[2-(dimethylcarbamoylamino)ethyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-N-[2-(dimethylcarbamoylamino)ethyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-N-[2-(dimethylcarbamoylamino)ethyl]-1H-pyrrole-2-carboxamide is CN(C)C(=O)NCCNC(=O)c1cc(Br)c[nH]1.
What is the InChIKey of 4-bromo-N-[2-(dimethylcarbamoylamino)ethyl]-1H-pyrrole-2-carboxamide?
The InChIKey is NBEICCKHUUEKCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN4O2/c1-15(2)10(17)13-4-3-12-9(16)8-5-7(11)6-14-8/h5-6,14H,3-4H2,1-2H3,(H,12,16)(H,13,17).
What are the key properties of 4-bromo-N-[2-(dimethylcarbamoylamino)ethyl]-1H-pyrrole-2-carboxamide?
4-bromo-N-[2-(dimethylcarbamoylamino)ethyl]-1H-pyrrole-2-carboxamide has a molecular weight of 303.16 g/mol, XLogP of 0.78, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[2-(dimethylcarbamoylamino)ethyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 83120766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).