1-[4-(furan-3-yl)-4-thiophen-3-ylbut-3-enyl]-3,6-dihydro-2H-pyridine-5-carboxylic acid

C18H19NO3S — CID 70065135

IUPAC1-[4-(furan-3-yl)-4-thiophen-3-ylbut-3-enyl]-3,6-dihydro-2H-pyridine-5-carboxylic acid
SMILESO=C(O)C1=CCCN(CCC=C(c2ccoc2)c2ccsc2)C1
InChIInChI=1S/C18H19NO3S/c20-18(21)14-3-1-7-19(11-14)8-2-4-17(15-5-9-22-12-15)16-6-10-23-13-16/h3-6,9-10,12-13H,1-2,7-8,11H2,(H,20,21)
InChIKeyDXKQXCAMXJNBQK-UHFFFAOYSA-N
MW329.42 g/mol
LogP3.88
Rot. Bonds6

About 1-[4-(furan-3-yl)-4-thiophen-3-ylbut-3-enyl]-3,6-dihydro-2H-pyridine-5-carboxylic acid

1-[4-(furan-3-yl)-4-thiophen-3-ylbut-3-enyl]-3,6-dihydro-2H-pyridine-5-carboxylic acid (PubChem CID 70065135) has the molecular formula C18H19NO3S and a molecular weight of 329.42 g/mol. Its IUPAC name is 1-[4-(furan-3-yl)-4-thiophen-3-ylbut-3-enyl]-3,6-dihydro-2H-pyridine-5-carboxylic acid.

Molecular Properties

Compound Name1-[4-(furan-3-yl)-4-thiophen-3-ylbut-3-enyl]-3,6-dihydro-2H-pyridine-5-carboxylic acid
PubChem CID70065135
Molecular FormulaC18H19NO3S
Molecular Weight329.42 g/mol
Exact Mass329.11
IUPAC Name1-[4-(furan-3-yl)-4-thiophen-3-ylbut-3-enyl]-3,6-dihydro-2H-pyridine-5-carboxylic acid
SMILESO=C(O)C1=CCCN(CCC=C(c2ccoc2)c2ccsc2)C1
InChIInChI=1S/C18H19NO3S/c20-18(21)14-3-1-7-19(11-14)8-2-4-17(15-5-9-22-12-15)16-6-10-23-13-16/h3-6,9-10,12-13H,1-2,7-8,11H2,(H,20,21)
InChIKeyDXKQXCAMXJNBQK-UHFFFAOYSA-N
XLogP3.88
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[4-(furan-3-yl)-4-thiophen-3-ylbut-3-enyl]-3,6-dihydro-2H-pyridine-5-carboxylic acid with MolForge

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Related Compounds

1-[4-(3-methylthiophen-2-yl)-4-phenylbut-3-enyl]-3,6-dihydro-2H-pyridine-5-carboxylic acid
CID 67701413
1-[4-(1-ethylpyrrol-2-yl)-4-(2-methylphenyl)but-3-enyl]-3,6-dihydro-2H-pyridine-5-carboxylic acid
CID 70360011
(E)-5-(4-propan-2-ylphenyl)-5-thiophen-3-ylpent-4-enoic acid
CID 70276452
furan-3-carboxylic acid;dihydrochloride
CID 141114987
[4-(2-chloroethyl)piperazin-1-yl]-thiophen-3-ylmethanone
CID 63395349
4-oxo-4-[4-(thiophene-3-carbonyl)piperazin-1-yl]butanoic acid
CID 60948619
1-(1-propyl-3,6-dihydro-2H-pyridin-5-yl)ethanone
CID 45086400
N-[(1-thiophen-3-ylcyclopentyl)methyl]furan-3-carboxamide
CID 86263777
[4-[[5-(furan-3-yl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]-thiophen-3-ylmethanone
CID 75463056
N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]furan-3-carboxamide
CID 47368373
cyclohexen-1-yl(thiophen-3-yl)methanone
CID 62079928
(E)-N-[[1-(furan-3-carbonyl)piperidin-4-yl]methyl]-3-thiophen-3-ylprop-2-enamide
CID 71786750

Frequently Asked Questions

What is the IUPAC name of 1-[4-(furan-3-yl)-4-thiophen-3-ylbut-3-enyl]-3,6-dihydro-2H-pyridine-5-carboxylic acid?
The IUPAC name of 1-[4-(furan-3-yl)-4-thiophen-3-ylbut-3-enyl]-3,6-dihydro-2H-pyridine-5-carboxylic acid (CID 70065135) is 1-[4-(furan-3-yl)-4-thiophen-3-ylbut-3-enyl]-3,6-dihydro-2H-pyridine-5-carboxylic acid.
What is the SMILES notation for 1-[4-(furan-3-yl)-4-thiophen-3-ylbut-3-enyl]-3,6-dihydro-2H-pyridine-5-carboxylic acid?
The canonical SMILES for 1-[4-(furan-3-yl)-4-thiophen-3-ylbut-3-enyl]-3,6-dihydro-2H-pyridine-5-carboxylic acid is O=C(O)C1=CCCN(CCC=C(c2ccoc2)c2ccsc2)C1.
What is the InChIKey of 1-[4-(furan-3-yl)-4-thiophen-3-ylbut-3-enyl]-3,6-dihydro-2H-pyridine-5-carboxylic acid?
The InChIKey is DXKQXCAMXJNBQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3S/c20-18(21)14-3-1-7-19(11-14)8-2-4-17(15-5-9-22-12-15)16-6-10-23-13-16/h3-6,9-10,12-13H,1-2,7-8,11H2,(H,20,21).
What are the key properties of 1-[4-(furan-3-yl)-4-thiophen-3-ylbut-3-enyl]-3,6-dihydro-2H-pyridine-5-carboxylic acid?
1-[4-(furan-3-yl)-4-thiophen-3-ylbut-3-enyl]-3,6-dihydro-2H-pyridine-5-carboxylic acid has a molecular weight of 329.42 g/mol, XLogP of 3.88, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(furan-3-yl)-4-thiophen-3-ylbut-3-enyl]-3,6-dihydro-2H-pyridine-5-carboxylic acid is sourced from PubChem (CID 70065135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).