5-(furan-2-carbonyl)-6-hydroxy-1-(3-methoxypropyl)-4-methyl-2-oxopyridine-3-carbonitrile

C16H16N2O5 — CID 19117096

IUPAC5-(furan-2-carbonyl)-6-hydroxy-1-(3-methoxypropyl)-4-methyl-2-oxopyridine-3-carbonitrile
SMILESCOCCCn1c(O)c(C(=O)c2ccco2)c(C)c(C#N)c1=O
InChIInChI=1S/C16H16N2O5/c1-10-11(9-17)15(20)18(6-4-7-22-2)16(21)13(10)14(19)12-5-3-8-23-12/h3,5,8,21H,4,6-7H2,1-2H3
InChIKeyNCOLDIQPFJXMRA-UHFFFAOYSA-N
MW316.31 g/mol
LogP1.59
Rot. Bonds6

About 5-(furan-2-carbonyl)-6-hydroxy-1-(3-methoxypropyl)-4-methyl-2-oxopyridine-3-carbonitrile

5-(furan-2-carbonyl)-6-hydroxy-1-(3-methoxypropyl)-4-methyl-2-oxopyridine-3-carbonitrile (PubChem CID 19117096) has the molecular formula C16H16N2O5 and a molecular weight of 316.31 g/mol. Its IUPAC name is 5-(furan-2-carbonyl)-6-hydroxy-1-(3-methoxypropyl)-4-methyl-2-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name5-(furan-2-carbonyl)-6-hydroxy-1-(3-methoxypropyl)-4-methyl-2-oxopyridine-3-carbonitrile
PubChem CID19117096
Molecular FormulaC16H16N2O5
Molecular Weight316.31 g/mol
Exact Mass316.11
IUPAC Name5-(furan-2-carbonyl)-6-hydroxy-1-(3-methoxypropyl)-4-methyl-2-oxopyridine-3-carbonitrile
SMILESCOCCCn1c(O)c(C(=O)c2ccco2)c(C)c(C#N)c1=O
InChIInChI=1S/C16H16N2O5/c1-10-11(9-17)15(20)18(6-4-7-22-2)16(21)13(10)14(19)12-5-3-8-23-12/h3,5,8,21H,4,6-7H2,1-2H3
InChIKeyNCOLDIQPFJXMRA-UHFFFAOYSA-N
XLogP1.59
TPSA105.46 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.31
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 5-(furan-2-carbonyl)-6-hydroxy-1-(3-methoxypropyl)-4-methyl-2-oxopyridine-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

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
5-(2-furan-2-yl-2-oxo-ethyl)-1-methyl-1H-pyridin-2-one
CID 59749682
5-[(Z)-1-(dimethylamino)-3-(furan-2-yl)-3-oxoprop-1-en-2-yl]-1-methylpyridin-2-one
CID 59749683

Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-carbonyl)-6-hydroxy-1-(3-methoxypropyl)-4-methyl-2-oxopyridine-3-carbonitrile?
The IUPAC name of 5-(furan-2-carbonyl)-6-hydroxy-1-(3-methoxypropyl)-4-methyl-2-oxopyridine-3-carbonitrile (CID 19117096) is 5-(furan-2-carbonyl)-6-hydroxy-1-(3-methoxypropyl)-4-methyl-2-oxopyridine-3-carbonitrile.
What is the SMILES notation for 5-(furan-2-carbonyl)-6-hydroxy-1-(3-methoxypropyl)-4-methyl-2-oxopyridine-3-carbonitrile?
The canonical SMILES for 5-(furan-2-carbonyl)-6-hydroxy-1-(3-methoxypropyl)-4-methyl-2-oxopyridine-3-carbonitrile is COCCCn1c(O)c(C(=O)c2ccco2)c(C)c(C#N)c1=O.
What is the InChIKey of 5-(furan-2-carbonyl)-6-hydroxy-1-(3-methoxypropyl)-4-methyl-2-oxopyridine-3-carbonitrile?
The InChIKey is NCOLDIQPFJXMRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O5/c1-10-11(9-17)15(20)18(6-4-7-22-2)16(21)13(10)14(19)12-5-3-8-23-12/h3,5,8,21H,4,6-7H2,1-2H3.
What are the key properties of 5-(furan-2-carbonyl)-6-hydroxy-1-(3-methoxypropyl)-4-methyl-2-oxopyridine-3-carbonitrile?
5-(furan-2-carbonyl)-6-hydroxy-1-(3-methoxypropyl)-4-methyl-2-oxopyridine-3-carbonitrile has a molecular weight of 316.31 g/mol, XLogP of 1.59, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-carbonyl)-6-hydroxy-1-(3-methoxypropyl)-4-methyl-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 19117096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).