5-[4-[(E)-3-pyridin-3-ylprop-2-enoyl]phenyl]furan-2-carboxylic acid

C19H13NO4 — CID 34046595

IUPAC5-[4-[(E)-3-pyridin-3-ylprop-2-enoyl]phenyl]furan-2-carboxylic acid
SMILESO=C(/C=C/c1cccnc1)c1ccc(-c2ccc(C(=O)O)o2)cc1
InChIInChI=1S/C19H13NO4/c21-16(8-3-13-2-1-11-20-12-13)14-4-6-15(7-5-14)17-9-10-18(24-17)19(22)23/h1-12H,(H,22,23)/b8-3+
InChIKeyGMGVRXHJJREXDW-FPYGCLRLSA-N
MW319.32 g/mol
LogP3.94
Rot. Bonds5

About 5-[4-[(E)-3-pyridin-3-ylprop-2-enoyl]phenyl]furan-2-carboxylic acid

5-[4-[(E)-3-pyridin-3-ylprop-2-enoyl]phenyl]furan-2-carboxylic acid (PubChem CID 34046595) has the molecular formula C19H13NO4 and a molecular weight of 319.32 g/mol. Its IUPAC name is 5-[4-[(E)-3-pyridin-3-ylprop-2-enoyl]phenyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[4-[(E)-3-pyridin-3-ylprop-2-enoyl]phenyl]furan-2-carboxylic acid
PubChem CID34046595
Molecular FormulaC19H13NO4
Molecular Weight319.32 g/mol
Exact Mass319.08
IUPAC Name5-[4-[(E)-3-pyridin-3-ylprop-2-enoyl]phenyl]furan-2-carboxylic acid
SMILESO=C(/C=C/c1cccnc1)c1ccc(-c2ccc(C(=O)O)o2)cc1
InChIInChI=1S/C19H13NO4/c21-16(8-3-13-2-1-11-20-12-13)14-4-6-15(7-5-14)17-9-10-18(24-17)19(22)23/h1-12H,(H,22,23)/b8-3+
InChIKeyGMGVRXHJJREXDW-FPYGCLRLSA-N
XLogP3.94
TPSA80.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.32
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 5-[4-[(E)-3-pyridin-3-ylprop-2-enoyl]phenyl]furan-2-carboxylic acid 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

(E)-1-phenyl-3-pyridin-3-ylprop-2-en-1-one
CID 5354062
5-[4-[(E)-3-(1-phenylpyrazol-4-yl)prop-2-enoyl]phenyl]furan-2-carboxylic acid
CID 9034624
(E)-1-(4-tert-butylphenyl)-3-pyridin-3-ylprop-2-en-1-one
CID 40700825
5-[4-[(E)-3-(3-methoxyphenyl)prop-2-enoyl]phenyl]furan-2-carboxylate
CID 9034573
(E)-1-(4-methylsulfanylphenyl)-3-pyridin-3-ylprop-2-en-1-one
CID 18982147
(E)-1-[4-(difluoromethoxy)phenyl]-3-pyridin-3-ylprop-2-en-1-one
CID 19542807
methyl 2-[4-[(E)-3-pyridin-3-ylprop-2-enoyl]phenoxy]acetate
CID 51097580
N-[4-[(Z)-3-pyridin-3-ylprop-2-enoyl]phenyl]methanesulfonamide
CID 97464244
acetic acid;copper;bis((E)-3-phenyl-1-pyridin-3-ylprop-2-en-1-one)
CID 134081608
cyclopenta[b]pyran-2-carboxylic acid
CID 141029031
(E)-3-phenyl-1-[4-[(E)-3-phenylprop-2-enoyl]phenyl]prop-2-en-1-one
CID 5369391
(E)-3-phenyl-1-pyridin-4-ylprop-2-en-1-one
CID 5355548

Frequently Asked Questions

What is the IUPAC name of 5-[4-[(E)-3-pyridin-3-ylprop-2-enoyl]phenyl]furan-2-carboxylic acid?
The IUPAC name of 5-[4-[(E)-3-pyridin-3-ylprop-2-enoyl]phenyl]furan-2-carboxylic acid (CID 34046595) is 5-[4-[(E)-3-pyridin-3-ylprop-2-enoyl]phenyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[4-[(E)-3-pyridin-3-ylprop-2-enoyl]phenyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[4-[(E)-3-pyridin-3-ylprop-2-enoyl]phenyl]furan-2-carboxylic acid is O=C(/C=C/c1cccnc1)c1ccc(-c2ccc(C(=O)O)o2)cc1.
What is the InChIKey of 5-[4-[(E)-3-pyridin-3-ylprop-2-enoyl]phenyl]furan-2-carboxylic acid?
The InChIKey is GMGVRXHJJREXDW-FPYGCLRLSA-N. The full InChI is InChI=1S/C19H13NO4/c21-16(8-3-13-2-1-11-20-12-13)14-4-6-15(7-5-14)17-9-10-18(24-17)19(22)23/h1-12H,(H,22,23)/b8-3+.
What are the key properties of 5-[4-[(E)-3-pyridin-3-ylprop-2-enoyl]phenyl]furan-2-carboxylic acid?
5-[4-[(E)-3-pyridin-3-ylprop-2-enoyl]phenyl]furan-2-carboxylic acid has a molecular weight of 319.32 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(E)-3-pyridin-3-ylprop-2-enoyl]phenyl]furan-2-carboxylic acid is sourced from PubChem (CID 34046595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).