6-methyl-4-oxo-5-(5-prop-2-enylfuran-2-yl)-1H-pyridine-3-carboxamide

C14H14N2O3 — CID 175841759

IUPAC6-methyl-4-oxo-5-(5-prop-2-enylfuran-2-yl)-1H-pyridine-3-carboxamide
SMILESC=CCc1ccc(-c2c(C)[nH]cc(C(N)=O)c2=O)o1
InChIInChI=1S/C14H14N2O3/c1-3-4-9-5-6-11(19-9)12-8(2)16-7-10(13(12)17)14(15)18/h3,5-7H,1,4H2,2H3,(H2,15,18)(H,16,17)
InChIKeyOSJKNKZPHOWLGI-UHFFFAOYSA-N
MW258.28 g/mol
LogP1.77
Rot. Bonds4

About 6-methyl-4-oxo-5-(5-prop-2-enylfuran-2-yl)-1H-pyridine-3-carboxamide

6-methyl-4-oxo-5-(5-prop-2-enylfuran-2-yl)-1H-pyridine-3-carboxamide (PubChem CID 175841759) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is 6-methyl-4-oxo-5-(5-prop-2-enylfuran-2-yl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name6-methyl-4-oxo-5-(5-prop-2-enylfuran-2-yl)-1H-pyridine-3-carboxamide
PubChem CID175841759
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC Name6-methyl-4-oxo-5-(5-prop-2-enylfuran-2-yl)-1H-pyridine-3-carboxamide
SMILESC=CCc1ccc(-c2c(C)[nH]cc(C(N)=O)c2=O)o1
InChIInChI=1S/C14H14N2O3/c1-3-4-9-5-6-11(19-9)12-8(2)16-7-10(13(12)17)14(15)18/h3,5-7H,1,4H2,2H3,(H2,15,18)(H,16,17)
InChIKeyOSJKNKZPHOWLGI-UHFFFAOYSA-N
XLogP1.77
TPSA89.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-oxo-5-(5-prop-2-enylfuran-2-yl)-1H-pyridine-3-carboxamide?
The IUPAC name of 6-methyl-4-oxo-5-(5-prop-2-enylfuran-2-yl)-1H-pyridine-3-carboxamide (CID 175841759) is 6-methyl-4-oxo-5-(5-prop-2-enylfuran-2-yl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for 6-methyl-4-oxo-5-(5-prop-2-enylfuran-2-yl)-1H-pyridine-3-carboxamide?
The canonical SMILES for 6-methyl-4-oxo-5-(5-prop-2-enylfuran-2-yl)-1H-pyridine-3-carboxamide is C=CCc1ccc(-c2c(C)[nH]cc(C(N)=O)c2=O)o1.
What is the InChIKey of 6-methyl-4-oxo-5-(5-prop-2-enylfuran-2-yl)-1H-pyridine-3-carboxamide?
The InChIKey is OSJKNKZPHOWLGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3/c1-3-4-9-5-6-11(19-9)12-8(2)16-7-10(13(12)17)14(15)18/h3,5-7H,1,4H2,2H3,(H2,15,18)(H,16,17).
What are the key properties of 6-methyl-4-oxo-5-(5-prop-2-enylfuran-2-yl)-1H-pyridine-3-carboxamide?
6-methyl-4-oxo-5-(5-prop-2-enylfuran-2-yl)-1H-pyridine-3-carboxamide has a molecular weight of 258.28 g/mol, XLogP of 1.77, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-oxo-5-(5-prop-2-enylfuran-2-yl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 175841759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).