4-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]-1-methylpyrrole-2-carboxamide

C13H20BrN3O — CID 43411282

IUPAC4-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]-1-methylpyrrole-2-carboxamide
SMILESCCN1CCCC1CNC(=O)c1cc(Br)cn1C
InChIInChI=1S/C13H20BrN3O/c1-3-17-6-4-5-11(17)8-15-13(18)12-7-10(14)9-16(12)2/h7,9,11H,3-6,8H2,1-2H3,(H,15,18)
InChIKeyBBZZMJXPCQTGHB-UHFFFAOYSA-N
MW314.23 g/mol
LogP2.00
Rot. Bonds4

About 4-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]-1-methylpyrrole-2-carboxamide

4-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]-1-methylpyrrole-2-carboxamide (PubChem CID 43411282) has the molecular formula C13H20BrN3O and a molecular weight of 314.23 g/mol. Its IUPAC name is 4-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]-1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]-1-methylpyrrole-2-carboxamide
PubChem CID43411282
Molecular FormulaC13H20BrN3O
Molecular Weight314.23 g/mol
Exact Mass313.08
IUPAC Name4-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]-1-methylpyrrole-2-carboxamide
SMILESCCN1CCCC1CNC(=O)c1cc(Br)cn1C
InChIInChI=1S/C13H20BrN3O/c1-3-17-6-4-5-11(17)8-15-13(18)12-7-10(14)9-16(12)2/h7,9,11H,3-6,8H2,1-2H3,(H,15,18)
InChIKeyBBZZMJXPCQTGHB-UHFFFAOYSA-N
XLogP2.00
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.23
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]benzamide
CID 3919173
5-bromo-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2,3-dimethoxybenzamide;hydrobromide
CID 46781582
(4-bromo-1-methylpyrrol-2-yl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 81485094
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-4-fluorobenzamide
CID 778881
N-[(1-ethylpyrrolidin-2-yl)methyl]-2,4-difluorobenzamide
CID 47007650
5-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-fluorobenzamide
CID 47136529
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide
CID 51054939
5-amino-3-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-hydroxy-6-methylbenzamide
CID 121356257
4-bromo-N-(3-cyclopentylpropyl)-1-methylpyrrole-2-carboxamide
CID 113221337
N-[(1-ethylpyrrolidin-2-yl)methyl]-4-sulfanylthiophene-2-carboxamide
CID 107021324
3,6-dichloro-N-[(1-ethylpyrrolidin-2-yl)methyl]pyridine-2-carboxamide
CID 43109626
N-[(1-ethylpyrrolidin-2-yl)methyl]-6-(methylamino)pyridazine-3-carboxamide
CID 62165895

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]-1-methylpyrrole-2-carboxamide?
The IUPAC name of 4-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]-1-methylpyrrole-2-carboxamide (CID 43411282) is 4-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]-1-methylpyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]-1-methylpyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]-1-methylpyrrole-2-carboxamide is CCN1CCCC1CNC(=O)c1cc(Br)cn1C.
What is the InChIKey of 4-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]-1-methylpyrrole-2-carboxamide?
The InChIKey is BBZZMJXPCQTGHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrN3O/c1-3-17-6-4-5-11(17)8-15-13(18)12-7-10(14)9-16(12)2/h7,9,11H,3-6,8H2,1-2H3,(H,15,18).
What are the key properties of 4-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]-1-methylpyrrole-2-carboxamide?
4-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]-1-methylpyrrole-2-carboxamide has a molecular weight of 314.23 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 43411282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).