7-bromo-N-[[2-(dimethylamino)-3-pyridinyl]methyl]-1-benzofuran-2-carboxamide

C17H16BrN3O2 — CID 55692957

IUPAC7-bromo-N-[[2-(dimethylamino)-3-pyridinyl]methyl]-1-benzofuran-2-carboxamide
SMILESCN(C)c1ncccc1CNC(=O)c1cc2cccc(Br)c2o1
InChIInChI=1S/C17H16BrN3O2/c1-21(2)16-12(6-4-8-19-16)10-20-17(22)14-9-11-5-3-7-13(18)15(11)23-14/h3-9H,10H2,1-2H3,(H,20,22)
InChIKeyQSVDDPPGYBHRSJ-UHFFFAOYSA-N
MW374.24 g/mol
LogP3.59
Rot. Bonds4

About 7-bromo-N-[[2-(dimethylamino)-3-pyridinyl]methyl]-1-benzofuran-2-carboxamide

7-bromo-N-[[2-(dimethylamino)-3-pyridinyl]methyl]-1-benzofuran-2-carboxamide (PubChem CID 55692957) has the molecular formula C17H16BrN3O2 and a molecular weight of 374.24 g/mol. Its IUPAC name is 7-bromo-N-[[2-(dimethylamino)-3-pyridinyl]methyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name7-bromo-N-[[2-(dimethylamino)-3-pyridinyl]methyl]-1-benzofuran-2-carboxamide
PubChem CID55692957
Molecular FormulaC17H16BrN3O2
Molecular Weight374.24 g/mol
Exact Mass373.04
IUPAC Name7-bromo-N-[[2-(dimethylamino)-3-pyridinyl]methyl]-1-benzofuran-2-carboxamide
SMILESCN(C)c1ncccc1CNC(=O)c1cc2cccc(Br)c2o1
InChIInChI=1S/C17H16BrN3O2/c1-21(2)16-12(6-4-8-19-16)10-20-17(22)14-9-11-5-3-7-13(18)15(11)23-14/h3-9H,10H2,1-2H3,(H,20,22)
InChIKeyQSVDDPPGYBHRSJ-UHFFFAOYSA-N
XLogP3.59
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.24
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-bromo-N-[(2-methoxyphenyl)methyl]-1-benzofuran-2-carboxamide
CID 39709859
N-benzyl-7-bromo-1-benzofuran-2-carboxamide
CID 38885383
N-[(4-aminophenyl)methyl]-7-bromo-1-benzofuran-2-carboxamide
CID 116650020
2-bromo-N-[[2-(dimethylamino)-3-pyridinyl]methyl]-5-sulfamoylbenzamide
CID 55692623
7-bromo-N-[(5-chlorothiophen-2-yl)methyl]-1-benzofuran-2-carboxamide
CID 46460415
N'-(7-bromo-1-benzofuran-2-carbonyl)pyridine-2-carbohydrazide
CID 39706116
7-bromo-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]-1-benzofuran-2-carboxamide
CID 55782670
7-bromo-N-[2-(propylamino)ethyl]-1-benzofuran-2-carboxamide
CID 55100770
7-bromo-N-methyl-N-[(2-methylphenyl)methyl]-1-benzofuran-2-carboxamide
CID 39717319
7-bromo-N-[2-(2-methoxyethylamino)ethyl]-1-benzofuran-2-carboxamide
CID 82993657
7-bromo-N-(2-hydroxyethyl)-N-methyl-1-benzofuran-2-carboxamide
CID 110890190
1-(4-bromo-2,6-dimethylphenyl)-3-[[2-(dimethylamino)-3-pyridinyl]methyl]urea
CID 55748072

Frequently Asked Questions

What is the IUPAC name of 7-bromo-N-[[2-(dimethylamino)-3-pyridinyl]methyl]-1-benzofuran-2-carboxamide?
The IUPAC name of 7-bromo-N-[[2-(dimethylamino)-3-pyridinyl]methyl]-1-benzofuran-2-carboxamide (CID 55692957) is 7-bromo-N-[[2-(dimethylamino)-3-pyridinyl]methyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 7-bromo-N-[[2-(dimethylamino)-3-pyridinyl]methyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for 7-bromo-N-[[2-(dimethylamino)-3-pyridinyl]methyl]-1-benzofuran-2-carboxamide is CN(C)c1ncccc1CNC(=O)c1cc2cccc(Br)c2o1.
What is the InChIKey of 7-bromo-N-[[2-(dimethylamino)-3-pyridinyl]methyl]-1-benzofuran-2-carboxamide?
The InChIKey is QSVDDPPGYBHRSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrN3O2/c1-21(2)16-12(6-4-8-19-16)10-20-17(22)14-9-11-5-3-7-13(18)15(11)23-14/h3-9H,10H2,1-2H3,(H,20,22).
What are the key properties of 7-bromo-N-[[2-(dimethylamino)-3-pyridinyl]methyl]-1-benzofuran-2-carboxamide?
7-bromo-N-[[2-(dimethylamino)-3-pyridinyl]methyl]-1-benzofuran-2-carboxamide has a molecular weight of 374.24 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-N-[[2-(dimethylamino)-3-pyridinyl]methyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 55692957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).