5-(furan-2-carbonyl)-6-hydroxy-4-methyl-2-oxo-1-prop-2-enylpyridine-3-carbonitrile

C15H12N2O4 — CID 19115624

IUPAC5-(furan-2-carbonyl)-6-hydroxy-4-methyl-2-oxo-1-prop-2-enylpyridine-3-carbonitrile
SMILESC=CCn1c(O)c(C(=O)c2ccco2)c(C)c(C#N)c1=O
InChIInChI=1S/C15H12N2O4/c1-3-6-17-14(19)10(8-16)9(2)12(15(17)20)13(18)11-5-4-7-21-11/h3-5,7,20H,1,6H2,2H3
InChIKeyNABOHUFVJHNRSZ-UHFFFAOYSA-N
MW284.27 g/mol
LogP1.74
Rot. Bonds4

About 5-(furan-2-carbonyl)-6-hydroxy-4-methyl-2-oxo-1-prop-2-enylpyridine-3-carbonitrile

5-(furan-2-carbonyl)-6-hydroxy-4-methyl-2-oxo-1-prop-2-enylpyridine-3-carbonitrile (PubChem CID 19115624) has the molecular formula C15H12N2O4 and a molecular weight of 284.27 g/mol. Its IUPAC name is 5-(furan-2-carbonyl)-6-hydroxy-4-methyl-2-oxo-1-prop-2-enylpyridine-3-carbonitrile.

Molecular Properties

Compound Name5-(furan-2-carbonyl)-6-hydroxy-4-methyl-2-oxo-1-prop-2-enylpyridine-3-carbonitrile
PubChem CID19115624
Molecular FormulaC15H12N2O4
Molecular Weight284.27 g/mol
Exact Mass284.08
IUPAC Name5-(furan-2-carbonyl)-6-hydroxy-4-methyl-2-oxo-1-prop-2-enylpyridine-3-carbonitrile
SMILESC=CCn1c(O)c(C(=O)c2ccco2)c(C)c(C#N)c1=O
InChIInChI=1S/C15H12N2O4/c1-3-6-17-14(19)10(8-16)9(2)12(15(17)20)13(18)11-5-4-7-21-11/h3-5,7,20H,1,6H2,2H3
InChIKeyNABOHUFVJHNRSZ-UHFFFAOYSA-N
XLogP1.74
TPSA96.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.27
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5-(furan-2-carbonyl)-6-hydroxy-4-methyl-2-oxo-1-prop-2-enylpyridine-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-(furan-2-yl)-3-oxopropyl]-N-methylacetamide
CID 101892507
1-[(4-Fluorophenyl)methyl]-5-(furan-2-carbonyl)-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile
CID 19117766
1-(Cyanomethyl)-4-(furan-2-yl)-6-methyl-2-oxopyridine-3-carbonitrile
CID 164889097
(2E,4E,6E)-4-(furan-2-carbonyl)-N,N,N',N'-tetramethyl-5-phenylocta-2,4,6-trienediamide
CID 50905902
6-[(E)-2-(dimethylamino)ethenyl]-5-(furan-2-carbonyl)-1H-pyridin-2-one
CID 13560737
5-(furan-2-carbonyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 20212841
2-[(Dimethylamino)methylene]-3-(2-furyl)-3-oxopropanenitrile
CID 45036882
3-(Dimethylamino)-2-(furan-2-carbonyl)acrylonitrile
CID 51556786
N,N-diethyl-3-(5-octadeca-9,12,14-trienoylfuran-2-yl)but-2-enamide
CID 54140279
6-[2-(dimethylamino)ethenyl]-5-(2-furanylcarbonyl)-2(1H)-pyridinone
CID 54332284
N,N-diethyl-3-(5-octadeca-9,12,15-trienoylfuran-2-yl)but-2-enamide
CID 54511237
3-Dimethylamino-1-(2-furyl)-2-methyl-2-propen-1-one
CID 54530547

Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-carbonyl)-6-hydroxy-4-methyl-2-oxo-1-prop-2-enylpyridine-3-carbonitrile?
The IUPAC name of 5-(furan-2-carbonyl)-6-hydroxy-4-methyl-2-oxo-1-prop-2-enylpyridine-3-carbonitrile (CID 19115624) is 5-(furan-2-carbonyl)-6-hydroxy-4-methyl-2-oxo-1-prop-2-enylpyridine-3-carbonitrile.
What is the SMILES notation for 5-(furan-2-carbonyl)-6-hydroxy-4-methyl-2-oxo-1-prop-2-enylpyridine-3-carbonitrile?
The canonical SMILES for 5-(furan-2-carbonyl)-6-hydroxy-4-methyl-2-oxo-1-prop-2-enylpyridine-3-carbonitrile is C=CCn1c(O)c(C(=O)c2ccco2)c(C)c(C#N)c1=O.
What is the InChIKey of 5-(furan-2-carbonyl)-6-hydroxy-4-methyl-2-oxo-1-prop-2-enylpyridine-3-carbonitrile?
The InChIKey is NABOHUFVJHNRSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O4/c1-3-6-17-14(19)10(8-16)9(2)12(15(17)20)13(18)11-5-4-7-21-11/h3-5,7,20H,1,6H2,2H3.
What are the key properties of 5-(furan-2-carbonyl)-6-hydroxy-4-methyl-2-oxo-1-prop-2-enylpyridine-3-carbonitrile?
5-(furan-2-carbonyl)-6-hydroxy-4-methyl-2-oxo-1-prop-2-enylpyridine-3-carbonitrile has a molecular weight of 284.27 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-carbonyl)-6-hydroxy-4-methyl-2-oxo-1-prop-2-enylpyridine-3-carbonitrile is sourced from PubChem (CID 19115624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).