N-([1]benzofuro[2,3-b]pyridin-8-yl)acetamide;5-bromo-[1]benzofuro[2,3-b]pyridin-8-amine

C24H17BrN4O3 — CID 165103209

IUPACN-([1]benzofuro[2,3-b]pyridin-8-yl)acetamide;5-bromo-[1]benzofuro[2,3-b]pyridin-8-amine
SMILESCC(=O)Nc1cccc2c1oc1ncccc12.Nc1ccc(Br)c2c1oc1ncccc12
InChIInChI=1S/C13H10N2O2.C11H7BrN2O/c1-8(16)15-11-6-2-4-9-10-5-3-7-14-13(10)17-12(9)11;12-7-3-4-8(13)10-9(7)6-2-1-5-14-11(6)15-10/h2-7H,1H3,(H,15,16);1-5H,13H2
InChIKeyYRNWPBLLZMRNEK-UHFFFAOYSA-N
MW489.33 g/mol
LogP6.27
Rot. Bonds1

About N-([1]benzofuro[2,3-b]pyridin-8-yl)acetamide;5-bromo-[1]benzofuro[2,3-b]pyridin-8-amine

N-([1]benzofuro[2,3-b]pyridin-8-yl)acetamide;5-bromo-[1]benzofuro[2,3-b]pyridin-8-amine (PubChem CID 165103209) has the molecular formula C24H17BrN4O3 and a molecular weight of 489.33 g/mol. Its IUPAC name is N-([1]benzofuro[2,3-b]pyridin-8-yl)acetamide;5-bromo-[1]benzofuro[2,3-b]pyridin-8-amine.

Molecular Properties

Compound NameN-([1]benzofuro[2,3-b]pyridin-8-yl)acetamide;5-bromo-[1]benzofuro[2,3-b]pyridin-8-amine
PubChem CID165103209
Molecular FormulaC24H17BrN4O3
Molecular Weight489.33 g/mol
Exact Mass488.05
IUPAC NameN-([1]benzofuro[2,3-b]pyridin-8-yl)acetamide;5-bromo-[1]benzofuro[2,3-b]pyridin-8-amine
SMILESCC(=O)Nc1cccc2c1oc1ncccc12.Nc1ccc(Br)c2c1oc1ncccc12
InChIInChI=1S/C13H10N2O2.C11H7BrN2O/c1-8(16)15-11-6-2-4-9-10-5-3-7-14-13(10)17-12(9)11;12-7-3-4-8(13)10-9(7)6-2-1-5-14-11(6)15-10/h2-7H,1H3,(H,15,16);1-5H,13H2
InChIKeyYRNWPBLLZMRNEK-UHFFFAOYSA-N
XLogP6.27
TPSA107.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.33
LogP ≤ 56.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-dibenzofuran-4-ylacetamide;furan-3-amine
CID 130442781
[1]benzofuro[2,3-b]pyridin-5-amine
CID 118860660
N-[2-(1-hydroxyethyl)-3-pyridinyl]acetamide
CID 133062279
5-bromo-8-(5-methyl-2-pyridinyl)-[1]benzofuro[2,3-b]pyridine;methane;trimethyl-[8-(5-methyl-2-pyridinyl)-[1]benzofuro[2,3-b]pyridin-5-yl]silane
CID 165028059
5-bromo-8-[5-(trideuteriomethyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine;trimethyl-[8-[5-(trideuteriomethyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridin-5-yl]silane;fluoride;hydrofluoride
CID 164977012
N-[3-(2-hydroxypropan-2-yl)-2-methyl-1-benzofuran-7-yl]acetamide
CID 70200005
N-[2-[(3-amino-4-bromophenyl)methoxy]phenyl]acetamide
CID 115557455
N-(2-formyl-3-pyridinyl)acetamide
CID 54486982
N-(3,4-diaminonaphthalen-1-yl)acetamide
CID 121009554
8-[4-(trideuteriomethyl)phenyl]-[1]benzofuro[2,3-b]pyridine
CID 90139251
3-amino-2-bromo-N-(2-methyl-3-pyridinyl)benzamide
CID 113367036
N-(3-amino-2-fluorophenyl)acetamide
CID 23022555

Frequently Asked Questions

What is the IUPAC name of N-([1]benzofuro[2,3-b]pyridin-8-yl)acetamide;5-bromo-[1]benzofuro[2,3-b]pyridin-8-amine?
The IUPAC name of N-([1]benzofuro[2,3-b]pyridin-8-yl)acetamide;5-bromo-[1]benzofuro[2,3-b]pyridin-8-amine (CID 165103209) is N-([1]benzofuro[2,3-b]pyridin-8-yl)acetamide;5-bromo-[1]benzofuro[2,3-b]pyridin-8-amine.
What is the SMILES notation for N-([1]benzofuro[2,3-b]pyridin-8-yl)acetamide;5-bromo-[1]benzofuro[2,3-b]pyridin-8-amine?
The canonical SMILES for N-([1]benzofuro[2,3-b]pyridin-8-yl)acetamide;5-bromo-[1]benzofuro[2,3-b]pyridin-8-amine is CC(=O)Nc1cccc2c1oc1ncccc12.Nc1ccc(Br)c2c1oc1ncccc12.
What is the InChIKey of N-([1]benzofuro[2,3-b]pyridin-8-yl)acetamide;5-bromo-[1]benzofuro[2,3-b]pyridin-8-amine?
The InChIKey is YRNWPBLLZMRNEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O2.C11H7BrN2O/c1-8(16)15-11-6-2-4-9-10-5-3-7-14-13(10)17-12(9)11;12-7-3-4-8(13)10-9(7)6-2-1-5-14-11(6)15-10/h2-7H,1H3,(H,15,16);1-5H,13H2.
What are the key properties of N-([1]benzofuro[2,3-b]pyridin-8-yl)acetamide;5-bromo-[1]benzofuro[2,3-b]pyridin-8-amine?
N-([1]benzofuro[2,3-b]pyridin-8-yl)acetamide;5-bromo-[1]benzofuro[2,3-b]pyridin-8-amine has a molecular weight of 489.33 g/mol, XLogP of 6.27, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-([1]benzofuro[2,3-b]pyridin-8-yl)acetamide;5-bromo-[1]benzofuro[2,3-b]pyridin-8-amine is sourced from PubChem (CID 165103209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).