4-amino-N-[(5-bromofuran-2-yl)methyl]-N-methyl-1H-pyrrole-2-carboxamide

C11H12BrN3O2 — CID 61109003

IUPAC4-amino-N-[(5-bromofuran-2-yl)methyl]-N-methyl-1H-pyrrole-2-carboxamide
SMILESCN(Cc1ccc(Br)o1)C(=O)c1cc(N)c[nH]1
InChIInChI=1S/C11H12BrN3O2/c1-15(6-8-2-3-10(12)17-8)11(16)9-4-7(13)5-14-9/h2-5,14H,6,13H2,1H3
InChIKeyLTLIMEQZGQHMGF-UHFFFAOYSA-N
MW298.14 g/mol
LogP2.22
Rot. Bonds3

About 4-amino-N-[(5-bromofuran-2-yl)methyl]-N-methyl-1H-pyrrole-2-carboxamide

4-amino-N-[(5-bromofuran-2-yl)methyl]-N-methyl-1H-pyrrole-2-carboxamide (PubChem CID 61109003) has the molecular formula C11H12BrN3O2 and a molecular weight of 298.14 g/mol. Its IUPAC name is 4-amino-N-[(5-bromofuran-2-yl)methyl]-N-methyl-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-[(5-bromofuran-2-yl)methyl]-N-methyl-1H-pyrrole-2-carboxamide
PubChem CID61109003
Molecular FormulaC11H12BrN3O2
Molecular Weight298.14 g/mol
Exact Mass297.01
IUPAC Name4-amino-N-[(5-bromofuran-2-yl)methyl]-N-methyl-1H-pyrrole-2-carboxamide
SMILESCN(Cc1ccc(Br)o1)C(=O)c1cc(N)c[nH]1
InChIInChI=1S/C11H12BrN3O2/c1-15(6-8-2-3-10(12)17-8)11(16)9-4-7(13)5-14-9/h2-5,14H,6,13H2,1H3
InChIKeyLTLIMEQZGQHMGF-UHFFFAOYSA-N
XLogP2.22
TPSA75.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.14
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(5-bromofuran-2-yl)methyl]-N-methyl-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-amino-N-[(5-bromofuran-2-yl)methyl]-N-methyl-1H-pyrrole-2-carboxamide (CID 61109003) is 4-amino-N-[(5-bromofuran-2-yl)methyl]-N-methyl-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-N-[(5-bromofuran-2-yl)methyl]-N-methyl-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-amino-N-[(5-bromofuran-2-yl)methyl]-N-methyl-1H-pyrrole-2-carboxamide is CN(Cc1ccc(Br)o1)C(=O)c1cc(N)c[nH]1.
What is the InChIKey of 4-amino-N-[(5-bromofuran-2-yl)methyl]-N-methyl-1H-pyrrole-2-carboxamide?
The InChIKey is LTLIMEQZGQHMGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3O2/c1-15(6-8-2-3-10(12)17-8)11(16)9-4-7(13)5-14-9/h2-5,14H,6,13H2,1H3.
What are the key properties of 4-amino-N-[(5-bromofuran-2-yl)methyl]-N-methyl-1H-pyrrole-2-carboxamide?
4-amino-N-[(5-bromofuran-2-yl)methyl]-N-methyl-1H-pyrrole-2-carboxamide has a molecular weight of 298.14 g/mol, XLogP of 2.22, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(5-bromofuran-2-yl)methyl]-N-methyl-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 61109003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).