4-bromo-N-(3-hydroxy-5-methyl-4-oxo-5-pyridin-3-ylfuran-2-yl)butanamide

C14H15BrN2O4 — CID 140834090

IUPAC4-bromo-N-(3-hydroxy-5-methyl-4-oxo-5-pyridin-3-ylfuran-2-yl)butanamide
SMILESCC1(c2cccnc2)OC(NC(=O)CCCBr)=C(O)C1=O
InChIInChI=1S/C14H15BrN2O4/c1-14(9-4-3-7-16-8-9)12(20)11(19)13(21-14)17-10(18)5-2-6-15/h3-4,7-8,19H,2,5-6H2,1H3,(H,17,18)
InChIKeyHVGVSVXGCYHCHU-UHFFFAOYSA-N
MW355.19 g/mol
LogP1.91
Rot. Bonds5

About 4-bromo-N-(3-hydroxy-5-methyl-4-oxo-5-pyridin-3-ylfuran-2-yl)butanamide

4-bromo-N-(3-hydroxy-5-methyl-4-oxo-5-pyridin-3-ylfuran-2-yl)butanamide (PubChem CID 140834090) has the molecular formula C14H15BrN2O4 and a molecular weight of 355.19 g/mol. Its IUPAC name is 4-bromo-N-(3-hydroxy-5-methyl-4-oxo-5-pyridin-3-ylfuran-2-yl)butanamide.

Molecular Properties

Compound Name4-bromo-N-(3-hydroxy-5-methyl-4-oxo-5-pyridin-3-ylfuran-2-yl)butanamide
PubChem CID140834090
Molecular FormulaC14H15BrN2O4
Molecular Weight355.19 g/mol
Exact Mass354.02
IUPAC Name4-bromo-N-(3-hydroxy-5-methyl-4-oxo-5-pyridin-3-ylfuran-2-yl)butanamide
SMILESCC1(c2cccnc2)OC(NC(=O)CCCBr)=C(O)C1=O
InChIInChI=1S/C14H15BrN2O4/c1-14(9-4-3-7-16-8-9)12(20)11(19)13(21-14)17-10(18)5-2-6-15/h3-4,7-8,19H,2,5-6H2,1H3,(H,17,18)
InChIKeyHVGVSVXGCYHCHU-UHFFFAOYSA-N
XLogP1.91
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.19
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(3-hydroxy-5-methyl-4-oxo-5-pyridin-3-ylfuran-2-yl)acetamide
CID 140834179
4-bromo-N-[3-hydroxy-5-(4-methoxyphenyl)-5-methyl-4-oxofuran-2-yl]butanamide
CID 140834265
N-(3-hydroxy-5-methyl-4-oxo-5-pyridin-3-ylfuran-2-yl)benzamide
CID 140833703
N-(3-hydroxy-5-methyl-4-oxo-5-pyridin-3-ylfuran-2-yl)ethanesulfonamide
CID 140834220
4-bromo-N-[5-(2-chloro-5-fluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]butanamide
CID 140834261
5-amino-4-hydroxy-2-methyl-2-pyridin-3-ylfuran-3-one
CID 90081861
N-[5-(2,6-dichlorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]acetamide
CID 140834203
5-bromo-N-(3-bromo-4-pyridinyl)pentanamide
CID 107910435
5-bromo-N-(3-methyl-2-pyridinyl)pentanamide
CID 107907296
5-(4-bromophenyl)-N-pyridin-3-ylpentanamide
CID 166191110
4-bromo-N-(4-bromo-2-pyridinyl)butanamide;ethane
CID 177218315
1-(2,2-dimethyl-5-pyridin-3-yl-1,3-dioxan-5-yl)ethanone
CID 90089948

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(3-hydroxy-5-methyl-4-oxo-5-pyridin-3-ylfuran-2-yl)butanamide?
The IUPAC name of 4-bromo-N-(3-hydroxy-5-methyl-4-oxo-5-pyridin-3-ylfuran-2-yl)butanamide (CID 140834090) is 4-bromo-N-(3-hydroxy-5-methyl-4-oxo-5-pyridin-3-ylfuran-2-yl)butanamide.
What is the SMILES notation for 4-bromo-N-(3-hydroxy-5-methyl-4-oxo-5-pyridin-3-ylfuran-2-yl)butanamide?
The canonical SMILES for 4-bromo-N-(3-hydroxy-5-methyl-4-oxo-5-pyridin-3-ylfuran-2-yl)butanamide is CC1(c2cccnc2)OC(NC(=O)CCCBr)=C(O)C1=O.
What is the InChIKey of 4-bromo-N-(3-hydroxy-5-methyl-4-oxo-5-pyridin-3-ylfuran-2-yl)butanamide?
The InChIKey is HVGVSVXGCYHCHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O4/c1-14(9-4-3-7-16-8-9)12(20)11(19)13(21-14)17-10(18)5-2-6-15/h3-4,7-8,19H,2,5-6H2,1H3,(H,17,18).
What are the key properties of 4-bromo-N-(3-hydroxy-5-methyl-4-oxo-5-pyridin-3-ylfuran-2-yl)butanamide?
4-bromo-N-(3-hydroxy-5-methyl-4-oxo-5-pyridin-3-ylfuran-2-yl)butanamide has a molecular weight of 355.19 g/mol, XLogP of 1.91, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(3-hydroxy-5-methyl-4-oxo-5-pyridin-3-ylfuran-2-yl)butanamide is sourced from PubChem (CID 140834090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).