4-bromo-1-ethyl-N-(1-methylpiperidin-3-yl)pyrrole-2-carboxamide

C13H20BrN3O — CID 61212021

IUPAC4-bromo-1-ethyl-N-(1-methylpiperidin-3-yl)pyrrole-2-carboxamide
SMILESCCn1cc(Br)cc1C(=O)NC1CCCN(C)C1
InChIInChI=1S/C13H20BrN3O/c1-3-17-8-10(14)7-12(17)13(18)15-11-5-4-6-16(2)9-11/h7-8,11H,3-6,9H2,1-2H3,(H,15,18)
InChIKeyIYBADZRSTFASJU-UHFFFAOYSA-N
MW314.23 g/mol
LogP2.09
Rot. Bonds3

About 4-bromo-1-ethyl-N-(1-methylpiperidin-3-yl)pyrrole-2-carboxamide

4-bromo-1-ethyl-N-(1-methylpiperidin-3-yl)pyrrole-2-carboxamide (PubChem CID 61212021) has the molecular formula C13H20BrN3O and a molecular weight of 314.23 g/mol. Its IUPAC name is 4-bromo-1-ethyl-N-(1-methylpiperidin-3-yl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-1-ethyl-N-(1-methylpiperidin-3-yl)pyrrole-2-carboxamide
PubChem CID61212021
Molecular FormulaC13H20BrN3O
Molecular Weight314.23 g/mol
Exact Mass313.08
IUPAC Name4-bromo-1-ethyl-N-(1-methylpiperidin-3-yl)pyrrole-2-carboxamide
SMILESCCn1cc(Br)cc1C(=O)NC1CCCN(C)C1
InChIInChI=1S/C13H20BrN3O/c1-3-17-8-10(14)7-12(17)13(18)15-11-5-4-6-16(2)9-11/h7-8,11H,3-6,9H2,1-2H3,(H,15,18)
InChIKeyIYBADZRSTFASJU-UHFFFAOYSA-N
XLogP2.09
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.23
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-cyclobutyl-1-ethylpyrrole-2-carboxamide
CID 55211463
4-bromo-N-(1-ethylpiperidin-3-yl)-1-propylpyrrole-2-carboxamide
CID 61170021
4-bromo-1-ethyl-N-(4-methylcyclohexyl)pyrrole-2-carboxamide
CID 43640965
4-bromo-1-ethyl-N-piperidin-3-ylpyrrole-2-carboxamide;hydrochloride
CID 119424531
4-bromo-1-ethyl-N-(2-ethylcyclohexyl)pyrrole-2-carboxamide
CID 55222795
4-bromo-1-ethyl-N-(2-methylcyclopentyl)pyrrole-2-carboxamide
CID 63281523
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-4-bromo-1-ethylpyrrole-2-carboxamide
CID 60955841
4-bromo-1-ethyl-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyrrole-2-carboxamide
CID 63274162
4-bromo-N-(3-cyclopentylpropyl)-1-ethylpyrrole-2-carboxamide
CID 106012286
4-bromo-N-(2-tert-butylcyclohexyl)-1-ethylpyrrole-2-carboxamide
CID 63525805
2,4-dibromo-N-(1-methylpiperidin-3-yl)benzamide
CID 103882624
4-bromo-1-ethyl-N-(2,2,3,3-tetramethylcyclopropyl)pyrrole-2-carboxamide
CID 79350450

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-ethyl-N-(1-methylpiperidin-3-yl)pyrrole-2-carboxamide?
The IUPAC name of 4-bromo-1-ethyl-N-(1-methylpiperidin-3-yl)pyrrole-2-carboxamide (CID 61212021) is 4-bromo-1-ethyl-N-(1-methylpiperidin-3-yl)pyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-1-ethyl-N-(1-methylpiperidin-3-yl)pyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-1-ethyl-N-(1-methylpiperidin-3-yl)pyrrole-2-carboxamide is CCn1cc(Br)cc1C(=O)NC1CCCN(C)C1.
What is the InChIKey of 4-bromo-1-ethyl-N-(1-methylpiperidin-3-yl)pyrrole-2-carboxamide?
The InChIKey is IYBADZRSTFASJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrN3O/c1-3-17-8-10(14)7-12(17)13(18)15-11-5-4-6-16(2)9-11/h7-8,11H,3-6,9H2,1-2H3,(H,15,18).
What are the key properties of 4-bromo-1-ethyl-N-(1-methylpiperidin-3-yl)pyrrole-2-carboxamide?
4-bromo-1-ethyl-N-(1-methylpiperidin-3-yl)pyrrole-2-carboxamide has a molecular weight of 314.23 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-ethyl-N-(1-methylpiperidin-3-yl)pyrrole-2-carboxamide is sourced from PubChem (CID 61212021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).