2-[5-[(5-cyano-4-methyl-2,6-dioxo-3-pyridinylidene)methyl]furan-2-yl]benzoate

C19H11N2O5- — CID 3472759

IUPAC2-[5-[(5-cyano-4-methyl-2,6-dioxo-3-pyridinylidene)methyl]furan-2-yl]benzoate
SMILESCC1=C(C#N)C(=O)NC(=O)C1=Cc1ccc(-c2ccccc2C(=O)[O-])o1
InChIInChI=1S/C19H12N2O5/c1-10-14(17(22)21-18(23)15(10)9-20)8-11-6-7-16(26-11)12-4-2-3-5-13(12)19(24)25/h2-8H,1H3,(H,24,25)(H,21,22,23)/p-1
InChIKeyQFSBWMPPUNFUEN-UHFFFAOYSA-M
MW347.31 g/mol
LogP1.19
Rot. Bonds3

About 2-[5-[(5-cyano-4-methyl-2,6-dioxo-3-pyridinylidene)methyl]furan-2-yl]benzoate

2-[5-[(5-cyano-4-methyl-2,6-dioxo-3-pyridinylidene)methyl]furan-2-yl]benzoate (PubChem CID 3472759) has the molecular formula C19H11N2O5- and a molecular weight of 347.31 g/mol. Its IUPAC name is 2-[5-[(5-cyano-4-methyl-2,6-dioxo-3-pyridinylidene)methyl]furan-2-yl]benzoate.

Molecular Properties

Compound Name2-[5-[(5-cyano-4-methyl-2,6-dioxo-3-pyridinylidene)methyl]furan-2-yl]benzoate
PubChem CID3472759
Molecular FormulaC19H11N2O5-
Molecular Weight347.31 g/mol
Exact Mass347.07
IUPAC Name2-[5-[(5-cyano-4-methyl-2,6-dioxo-3-pyridinylidene)methyl]furan-2-yl]benzoate
SMILESCC1=C(C#N)C(=O)NC(=O)C1=Cc1ccc(-c2ccccc2C(=O)[O-])o1
InChIInChI=1S/C19H12N2O5/c1-10-14(17(22)21-18(23)15(10)9-20)8-11-6-7-16(26-11)12-4-2-3-5-13(12)19(24)25/h2-8H,1H3,(H,24,25)(H,21,22,23)/p-1
InChIKeyQFSBWMPPUNFUEN-UHFFFAOYSA-M
XLogP1.19
TPSA123.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.31
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyano_pyridone_C(11)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 2-[5-[(5-cyano-4-methyl-2,6-dioxo-3-pyridinylidene)methyl]furan-2-yl]benzoate with MolForge

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Launch Full Analysis

Related Compounds

(5Z)-5-[[5-(2-iodophenyl)furan-2-yl]methylidene]-4-methyl-2,6-dioxopyridine-3-carbonitrile
CID 50886157
(5Z)-4-methyl-5-[(5-naphthalen-1-ylfuran-2-yl)methylidene]-2,6-dioxopyridine-3-carbonitrile
CID 7320602
(5E)-4-methyl-2,6-dioxo-5-[[5-(4-phenyldiazenylphenyl)furan-2-yl]methylidene]pyridine-3-carbonitrile
CID 50883764
benzyl 5-bromo-2-[5-[(Z)-(5-cyano-4-methyl-2,6-dioxo-3-pyridinylidene)methyl]furan-2-yl]benzoate
CID 50884251
butyl 5-bromo-2-[5-[(Z)-(5-cyano-4-methyl-2,6-dioxo-3-pyridinylidene)methyl]furan-2-yl]benzoate
CID 50884093
(5Z)-5-[[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylidene]-4-methyl-2,6-dioxopyridine-3-carbonitrile
CID 5292569
dibenzyl 5-[5-[(Z)-(5-cyano-4-methyl-2,6-dioxo-3-pyridinylidene)methyl]furan-2-yl]benzene-1,3-dicarboxylate
CID 50886156
(5Z)-5-[[5-(4-iodo-3-methylphenyl)furan-2-yl]methylidene]-4-methyl-2,6-dioxopyridine-3-carbonitrile
CID 50886180
4-methyl-2,6-dioxo-5-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]pyridine-3-carbonitrile
CID 3952279
benzyl 2-chloro-5-[5-[(E)-(5-cyano-4-methyl-2,6-dioxo-3-pyridinylidene)methyl]furan-2-yl]benzoate
CID 6264757
(5Z)-5-[[5-(4-hydroxy-3-nitrophenyl)furan-2-yl]methylidene]-4-methyl-2,6-dioxopyridine-3-carbonitrile
CID 21230302
prop-2-enyl 2-chloro-5-[5-[(5-cyano-4-methyl-2,6-dioxo-3-pyridinylidene)methyl]furan-2-yl]benzoate
CID 3157079

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(5-cyano-4-methyl-2,6-dioxo-3-pyridinylidene)methyl]furan-2-yl]benzoate?
The IUPAC name of 2-[5-[(5-cyano-4-methyl-2,6-dioxo-3-pyridinylidene)methyl]furan-2-yl]benzoate (CID 3472759) is 2-[5-[(5-cyano-4-methyl-2,6-dioxo-3-pyridinylidene)methyl]furan-2-yl]benzoate.
What is the SMILES notation for 2-[5-[(5-cyano-4-methyl-2,6-dioxo-3-pyridinylidene)methyl]furan-2-yl]benzoate?
The canonical SMILES for 2-[5-[(5-cyano-4-methyl-2,6-dioxo-3-pyridinylidene)methyl]furan-2-yl]benzoate is CC1=C(C#N)C(=O)NC(=O)C1=Cc1ccc(-c2ccccc2C(=O)[O-])o1.
What is the InChIKey of 2-[5-[(5-cyano-4-methyl-2,6-dioxo-3-pyridinylidene)methyl]furan-2-yl]benzoate?
The InChIKey is QFSBWMPPUNFUEN-UHFFFAOYSA-M. The full InChI is InChI=1S/C19H12N2O5/c1-10-14(17(22)21-18(23)15(10)9-20)8-11-6-7-16(26-11)12-4-2-3-5-13(12)19(24)25/h2-8H,1H3,(H,24,25)(H,21,22,23)/p-1.
What are the key properties of 2-[5-[(5-cyano-4-methyl-2,6-dioxo-3-pyridinylidene)methyl]furan-2-yl]benzoate?
2-[5-[(5-cyano-4-methyl-2,6-dioxo-3-pyridinylidene)methyl]furan-2-yl]benzoate has a molecular weight of 347.31 g/mol, XLogP of 1.19, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(5-cyano-4-methyl-2,6-dioxo-3-pyridinylidene)methyl]furan-2-yl]benzoate is sourced from PubChem (CID 3472759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).