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

C12H12N2O4 — CID 140834179

IUPACN-(3-hydroxy-5-methyl-4-oxo-5-pyridin-3-ylfuran-2-yl)acetamide
SMILESCC(=O)NC1=C(O)C(=O)C(C)(c2cccnc2)O1
InChIInChI=1S/C12H12N2O4/c1-7(15)14-11-9(16)10(17)12(2,18-11)8-4-3-5-13-6-8/h3-6,16H,1-2H3,(H,14,15)
InChIKeyMQIBHRASSVWRGS-UHFFFAOYSA-N
MW248.24 g/mol
LogP0.76
Rot. Bonds2

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

N-(3-hydroxy-5-methyl-4-oxo-5-pyridin-3-ylfuran-2-yl)acetamide (PubChem CID 140834179) has the molecular formula C12H12N2O4 and a molecular weight of 248.24 g/mol. Its IUPAC name is N-(3-hydroxy-5-methyl-4-oxo-5-pyridin-3-ylfuran-2-yl)acetamide.

Molecular Properties

Compound NameN-(3-hydroxy-5-methyl-4-oxo-5-pyridin-3-ylfuran-2-yl)acetamide
PubChem CID140834179
Molecular FormulaC12H12N2O4
Molecular Weight248.24 g/mol
Exact Mass248.08
IUPAC NameN-(3-hydroxy-5-methyl-4-oxo-5-pyridin-3-ylfuran-2-yl)acetamide
SMILESCC(=O)NC1=C(O)C(=O)C(C)(c2cccnc2)O1
InChIInChI=1S/C12H12N2O4/c1-7(15)14-11-9(16)10(17)12(2,18-11)8-4-3-5-13-6-8/h3-6,16H,1-2H3,(H,14,15)
InChIKeyMQIBHRASSVWRGS-UHFFFAOYSA-N
XLogP0.76
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.24
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-hydroxy-5-methyl-4-oxo-5-pyridin-3-ylfuran-2-yl)benzamide
CID 140833703
4-bromo-N-(3-hydroxy-5-methyl-4-oxo-5-pyridin-3-ylfuran-2-yl)butanamide
CID 140834090
N-(3-hydroxy-5-methyl-4-oxo-5-pyridin-3-ylfuran-2-yl)ethanesulfonamide
CID 140834220
5-amino-4-hydroxy-2-methyl-2-pyridin-3-ylfuran-3-one
CID 90081861
1-(2,2-dimethyl-5-pyridin-3-yl-1,3-dioxan-5-yl)ethanone
CID 90089948
N-(3-hydroxy-5-methyl-4-oxo-5-quinolin-4-ylfuran-2-yl)benzamide
CID 140833545
(4R,5R)-3-ethyl-4-hydroxy-4,5-dimethyl-5-pyridin-3-yl-1,3-oxazolidin-2-one
CID 7327793
methyl 1-pyridin-3-ylcyclobutane-1-carboxylate
CID 116963934
3-(1-chloro-2,2,3,3-tetramethylcyclopropyl)pyridine
CID 13486942
N-(4-acetamidophenyl)pyridine-3-carboxamide
CID 766053
dimethyl 6-chloro-4-hydroxy-2-oxo-1-pyridin-3-ylcyclohexa-3,5-diene-1,3-dicarboxylate
CID 174636744
ethyl (2S,3S)-3-methyl-3-pyridin-3-yloxirane-2-carboxylate
CID 124515511

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-5-methyl-4-oxo-5-pyridin-3-ylfuran-2-yl)acetamide?
The IUPAC name of N-(3-hydroxy-5-methyl-4-oxo-5-pyridin-3-ylfuran-2-yl)acetamide (CID 140834179) is N-(3-hydroxy-5-methyl-4-oxo-5-pyridin-3-ylfuran-2-yl)acetamide.
What is the SMILES notation for N-(3-hydroxy-5-methyl-4-oxo-5-pyridin-3-ylfuran-2-yl)acetamide?
The canonical SMILES for N-(3-hydroxy-5-methyl-4-oxo-5-pyridin-3-ylfuran-2-yl)acetamide is CC(=O)NC1=C(O)C(=O)C(C)(c2cccnc2)O1.
What is the InChIKey of N-(3-hydroxy-5-methyl-4-oxo-5-pyridin-3-ylfuran-2-yl)acetamide?
The InChIKey is MQIBHRASSVWRGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O4/c1-7(15)14-11-9(16)10(17)12(2,18-11)8-4-3-5-13-6-8/h3-6,16H,1-2H3,(H,14,15).
What are the key properties of N-(3-hydroxy-5-methyl-4-oxo-5-pyridin-3-ylfuran-2-yl)acetamide?
N-(3-hydroxy-5-methyl-4-oxo-5-pyridin-3-ylfuran-2-yl)acetamide has a molecular weight of 248.24 g/mol, XLogP of 0.76, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-5-methyl-4-oxo-5-pyridin-3-ylfuran-2-yl)acetamide is sourced from PubChem (CID 140834179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).