5-(furan-2-yl)-2-methyl-4-oxo-3H-pyridine-3-carboxamide

C11H10N2O3 — CID 168738386

IUPAC5-(furan-2-yl)-2-methyl-4-oxo-3H-pyridine-3-carboxamide
SMILESCC1=NC=C(c2ccco2)C(=O)C1C(N)=O
InChIInChI=1S/C11H10N2O3/c1-6-9(11(12)15)10(14)7(5-13-6)8-3-2-4-16-8/h2-5,9H,1H3,(H2,12,15)
InChIKeyWBEVGTWYNJZOCG-UHFFFAOYSA-N
MW218.21 g/mol
LogP0.77
Rot. Bonds2

About 5-(furan-2-yl)-2-methyl-4-oxo-3H-pyridine-3-carboxamide

5-(furan-2-yl)-2-methyl-4-oxo-3H-pyridine-3-carboxamide (PubChem CID 168738386) has the molecular formula C11H10N2O3 and a molecular weight of 218.21 g/mol. Its IUPAC name is 5-(furan-2-yl)-2-methyl-4-oxo-3H-pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(furan-2-yl)-2-methyl-4-oxo-3H-pyridine-3-carboxamide
PubChem CID168738386
Molecular FormulaC11H10N2O3
Molecular Weight218.21 g/mol
Exact Mass218.07
IUPAC Name5-(furan-2-yl)-2-methyl-4-oxo-3H-pyridine-3-carboxamide
SMILESCC1=NC=C(c2ccco2)C(=O)C1C(N)=O
InChIInChI=1S/C11H10N2O3/c1-6-9(11(12)15)10(14)7(5-13-6)8-3-2-4-16-8/h2-5,9H,1H3,(H2,12,15)
InChIKeyWBEVGTWYNJZOCG-UHFFFAOYSA-N
XLogP0.77
TPSA85.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.21
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-yl)-2-methyl-4-oxo-3H-pyridine-3-carboxamide?
The IUPAC name of 5-(furan-2-yl)-2-methyl-4-oxo-3H-pyridine-3-carboxamide (CID 168738386) is 5-(furan-2-yl)-2-methyl-4-oxo-3H-pyridine-3-carboxamide.
What is the SMILES notation for 5-(furan-2-yl)-2-methyl-4-oxo-3H-pyridine-3-carboxamide?
The canonical SMILES for 5-(furan-2-yl)-2-methyl-4-oxo-3H-pyridine-3-carboxamide is CC1=NC=C(c2ccco2)C(=O)C1C(N)=O.
What is the InChIKey of 5-(furan-2-yl)-2-methyl-4-oxo-3H-pyridine-3-carboxamide?
The InChIKey is WBEVGTWYNJZOCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O3/c1-6-9(11(12)15)10(14)7(5-13-6)8-3-2-4-16-8/h2-5,9H,1H3,(H2,12,15).
What are the key properties of 5-(furan-2-yl)-2-methyl-4-oxo-3H-pyridine-3-carboxamide?
5-(furan-2-yl)-2-methyl-4-oxo-3H-pyridine-3-carboxamide has a molecular weight of 218.21 g/mol, XLogP of 0.77, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-yl)-2-methyl-4-oxo-3H-pyridine-3-carboxamide is sourced from PubChem (CID 168738386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).