N-(6-bromo-3-pyridinyl)-5-methylfuran-2-carboxamide

C11H9BrN2O2 — CID 103789352

IUPACN-(6-bromo-3-pyridinyl)-5-methylfuran-2-carboxamide
SMILESCc1ccc(C(=O)Nc2ccc(Br)nc2)o1
InChIInChI=1S/C11H9BrN2O2/c1-7-2-4-9(16-7)11(15)14-8-3-5-10(12)13-6-8/h2-6H,1H3,(H,14,15)
InChIKeyIWJHBIUOHRDQGI-UHFFFAOYSA-N
MW281.11 g/mol
LogP3.00
Rot. Bonds2

About N-(6-bromo-3-pyridinyl)-5-methylfuran-2-carboxamide

N-(6-bromo-3-pyridinyl)-5-methylfuran-2-carboxamide (PubChem CID 103789352) has the molecular formula C11H9BrN2O2 and a molecular weight of 281.11 g/mol. Its IUPAC name is N-(6-bromo-3-pyridinyl)-5-methylfuran-2-carboxamide.

Molecular Properties

Compound NameN-(6-bromo-3-pyridinyl)-5-methylfuran-2-carboxamide
PubChem CID103789352
Molecular FormulaC11H9BrN2O2
Molecular Weight281.11 g/mol
Exact Mass279.98
IUPAC NameN-(6-bromo-3-pyridinyl)-5-methylfuran-2-carboxamide
SMILESCc1ccc(C(=O)Nc2ccc(Br)nc2)o1
InChIInChI=1S/C11H9BrN2O2/c1-7-2-4-9(16-7)11(15)14-8-3-5-10(12)13-6-8/h2-6H,1H3,(H,14,15)
InChIKeyIWJHBIUOHRDQGI-UHFFFAOYSA-N
XLogP3.00
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.11
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-(3-bromoimidazo[1,2-a]pyridin-6-yl)-5-methylfuran-2-carboxamide
CID 115274961
5-methyl-N-pyridin-4-ylfuran-2-carboxamide
CID 897103
5-methyl-N-[4-(methylcarbamoylamino)phenyl]furan-2-carboxamide
CID 52555638
N-(3,4-dimethylphenyl)-5-methylfuran-2-carboxamide
CID 844275
N-[4-(1-hydroxyethyl)phenyl]-5-methylfuran-2-carboxamide
CID 43508359
N-(6-bromo-3-pyridinyl)-6-methylpyridine-2-carboxamide
CID 103789394
N-(6-bromo-3-pyridinyl)-3-methylpyridine-2-carboxamide
CID 103789491
N-(6-bromo-3-pyridinyl)-4-fluorobenzamide
CID 44602373
N-(6-bromo-3-pyridinyl)-2,6-dimethoxybenzamide
CID 110605077
N-(6-bromo-3-pyridinyl)-1,2-oxazole-3-carboxamide
CID 103789487
N-(6-bromo-3-pyridinyl)-1,3-thiazole-5-carboxamide
CID 103789386
N-[4-(dimethylcarbamoyl)phenyl]-5-methylfuran-2-carboxamide
CID 17394257

Frequently Asked Questions

What is the IUPAC name of N-(6-bromo-3-pyridinyl)-5-methylfuran-2-carboxamide?
The IUPAC name of N-(6-bromo-3-pyridinyl)-5-methylfuran-2-carboxamide (CID 103789352) is N-(6-bromo-3-pyridinyl)-5-methylfuran-2-carboxamide.
What is the SMILES notation for N-(6-bromo-3-pyridinyl)-5-methylfuran-2-carboxamide?
The canonical SMILES for N-(6-bromo-3-pyridinyl)-5-methylfuran-2-carboxamide is Cc1ccc(C(=O)Nc2ccc(Br)nc2)o1.
What is the InChIKey of N-(6-bromo-3-pyridinyl)-5-methylfuran-2-carboxamide?
The InChIKey is IWJHBIUOHRDQGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrN2O2/c1-7-2-4-9(16-7)11(15)14-8-3-5-10(12)13-6-8/h2-6H,1H3,(H,14,15).
What are the key properties of N-(6-bromo-3-pyridinyl)-5-methylfuran-2-carboxamide?
N-(6-bromo-3-pyridinyl)-5-methylfuran-2-carboxamide has a molecular weight of 281.11 g/mol, XLogP of 3.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromo-3-pyridinyl)-5-methylfuran-2-carboxamide is sourced from PubChem (CID 103789352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).