4-bromo-N-[2-[cyclopropyl(methyl)amino]ethyl]-1H-pyrrole-2-carboxamide

C11H16BrN3O — CID 47940069

IUPAC4-bromo-N-[2-[cyclopropyl(methyl)amino]ethyl]-1H-pyrrole-2-carboxamide
SMILESCN(CCNC(=O)c1cc(Br)c[nH]1)C1CC1
InChIInChI=1S/C11H16BrN3O/c1-15(9-2-3-9)5-4-13-11(16)10-6-8(12)7-14-10/h6-7,9,14H,2-5H2,1H3,(H,13,16)
InChIKeyRRNRLIKILCITDV-UHFFFAOYSA-N
MW286.17 g/mol
LogP1.60
Rot. Bonds5

About 4-bromo-N-[2-[cyclopropyl(methyl)amino]ethyl]-1H-pyrrole-2-carboxamide

4-bromo-N-[2-[cyclopropyl(methyl)amino]ethyl]-1H-pyrrole-2-carboxamide (PubChem CID 47940069) has the molecular formula C11H16BrN3O and a molecular weight of 286.17 g/mol. Its IUPAC name is 4-bromo-N-[2-[cyclopropyl(methyl)amino]ethyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-[2-[cyclopropyl(methyl)amino]ethyl]-1H-pyrrole-2-carboxamide
PubChem CID47940069
Molecular FormulaC11H16BrN3O
Molecular Weight286.17 g/mol
Exact Mass285.05
IUPAC Name4-bromo-N-[2-[cyclopropyl(methyl)amino]ethyl]-1H-pyrrole-2-carboxamide
SMILESCN(CCNC(=O)c1cc(Br)c[nH]1)C1CC1
InChIInChI=1S/C11H16BrN3O/c1-15(9-2-3-9)5-4-13-11(16)10-6-8(12)7-14-10/h6-7,9,14H,2-5H2,1H3,(H,13,16)
InChIKeyRRNRLIKILCITDV-UHFFFAOYSA-N
XLogP1.60
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.17
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-[2-(dimethylcarbamoylamino)ethyl]-1H-pyrrole-2-carboxamide
CID 83120766
4-bromo-N-(3-cyclopropylpropyl)-1H-pyrrole-2-carboxamide
CID 115637079
4-bromo-N-[2-(1-methylpiperidin-4-yl)ethyl]-1H-pyrrole-2-carboxamide
CID 115600313
4-bromo-N-[3-(methylamino)-3-oxopropyl]-1H-pyrrole-2-carboxamide
CID 47356127
4-bromo-N-(3-ethoxypropyl)-1H-pyrrole-2-carboxamide
CID 18108948
4-bromo-N-[2-[4-(dimethylamino)phenyl]-2-oxoethyl]-1H-pyrrole-2-carboxamide
CID 175364543
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-methylcyclopentyl)methyl]-1H-pyrrole-2-carboxamide
CID 107413497
5-bromo-2-chloro-N-[2-[cyclopentyl(methyl)amino]ethyl]benzamide
CID 63316220
4-bromo-N-(3-methylsulfonylpropyl)-1H-pyrrole-2-carboxamide
CID 55139504
5-bromo-N-[2-[cyclopropyl(methyl)amino]ethyl]-2-hydrazinylpyridine-3-carboxamide
CID 62979826

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[2-[cyclopropyl(methyl)amino]ethyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-bromo-N-[2-[cyclopropyl(methyl)amino]ethyl]-1H-pyrrole-2-carboxamide (CID 47940069) is 4-bromo-N-[2-[cyclopropyl(methyl)amino]ethyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-N-[2-[cyclopropyl(methyl)amino]ethyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-N-[2-[cyclopropyl(methyl)amino]ethyl]-1H-pyrrole-2-carboxamide is CN(CCNC(=O)c1cc(Br)c[nH]1)C1CC1.
What is the InChIKey of 4-bromo-N-[2-[cyclopropyl(methyl)amino]ethyl]-1H-pyrrole-2-carboxamide?
The InChIKey is RRNRLIKILCITDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN3O/c1-15(9-2-3-9)5-4-13-11(16)10-6-8(12)7-14-10/h6-7,9,14H,2-5H2,1H3,(H,13,16).
What are the key properties of 4-bromo-N-[2-[cyclopropyl(methyl)amino]ethyl]-1H-pyrrole-2-carboxamide?
4-bromo-N-[2-[cyclopropyl(methyl)amino]ethyl]-1H-pyrrole-2-carboxamide has a molecular weight of 286.17 g/mol, XLogP of 1.60, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[2-[cyclopropyl(methyl)amino]ethyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 47940069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).