7-[(1E,3E)-3-ethenylhexa-1,3,5-trienyl]-4-phenyl-3,4-dihydro-1H-pyrano[4,3-b]pyridine-2,5-dione

C22H19NO3 — CID 162358406

IUPAC7-[(1E,3E)-3-ethenylhexa-1,3,5-trienyl]-4-phenyl-3,4-dihydro-1H-pyrano[4,3-b]pyridine-2,5-dione
SMILESC=C/C=C(C=C)/C=C/c1cc2c(c(=O)o1)C(c1ccccc1)CC(=O)N2
InChIInChI=1S/C22H19NO3/c1-3-8-15(4-2)11-12-17-13-19-21(22(25)26-17)18(14-20(24)23-19)16-9-6-5-7-10-16/h3-13,18H,1-2,14H2,(H,23,24)/b12-11+,15-8+
InChIKeyLIWNJBRIKNPPDC-MCQLXRESSA-N
MW345.40 g/mol
LogP4.43
Rot. Bonds5

About 7-[(1E,3E)-3-ethenylhexa-1,3,5-trienyl]-4-phenyl-3,4-dihydro-1H-pyrano[4,3-b]pyridine-2,5-dione

7-[(1E,3E)-3-ethenylhexa-1,3,5-trienyl]-4-phenyl-3,4-dihydro-1H-pyrano[4,3-b]pyridine-2,5-dione (PubChem CID 162358406) has the molecular formula C22H19NO3 and a molecular weight of 345.40 g/mol. Its IUPAC name is 7-[(1E,3E)-3-ethenylhexa-1,3,5-trienyl]-4-phenyl-3,4-dihydro-1H-pyrano[4,3-b]pyridine-2,5-dione.

Molecular Properties

Compound Name7-[(1E,3E)-3-ethenylhexa-1,3,5-trienyl]-4-phenyl-3,4-dihydro-1H-pyrano[4,3-b]pyridine-2,5-dione
PubChem CID162358406
Molecular FormulaC22H19NO3
Molecular Weight345.40 g/mol
Exact Mass345.14
IUPAC Name7-[(1E,3E)-3-ethenylhexa-1,3,5-trienyl]-4-phenyl-3,4-dihydro-1H-pyrano[4,3-b]pyridine-2,5-dione
SMILESC=C/C=C(C=C)/C=C/c1cc2c(c(=O)o1)C(c1ccccc1)CC(=O)N2
InChIInChI=1S/C22H19NO3/c1-3-8-15(4-2)11-12-17-13-19-21(22(25)26-17)18(14-20(24)23-19)16-9-6-5-7-10-16/h3-13,18H,1-2,14H2,(H,23,24)/b12-11+,15-8+
InChIKeyLIWNJBRIKNPPDC-MCQLXRESSA-N
XLogP4.43
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 7-[(1E,3E)-3-ethenylhexa-1,3,5-trienyl]-4-phenyl-3,4-dihydro-1H-pyrano[4,3-b]pyridine-2,5-dione with MolForge

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Launch Full Analysis

Related Compounds

3-Quinolinecarboxylic acid, 1,4,5,6,7,8-hexahydro-2,7,7-trimethyl-5-oxo-4-phenyl-, ethyl ester
CID 202803
ST061321
CID 2864982
ethyl 3-carbamoyl-6-methyl-2-oxo-4-phenyl-3,4-dihydro-1H-pyridine-5-carboxylate
CID 659057
Methyl 4-(4-tert-butylphenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate
CID 3645030
methyl 7-ethyl-2-methyl-5-oxo-4-(4-phenylphenyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
CID 58512897
methyl 2-methyl-5-oxo-4-(4-phenylphenyl)-7-propyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
CID 71014144
ST013406
CID 2727783
Ethyl 2-ethyl-4-(2-fluorophenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
CID 3551058
methyl 2-amino-6-ethyl-7-methyl-5-oxo-4-phenyl-5,6-dihydro-4H-pyrano[3,2-c]pyridine-3-carboxylate
CID 4970140
Cyclohexylmethyl 4-(2,4-difluorophenyl)-2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate
CID 15989860
Cyclopentyl 4-(2,4-difluorophenyl)-2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate
CID 15989862
methyl 2-methyl-7-(2-methylpropyl)-5-oxo-4-(4-phenylphenyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
CID 71450193

Frequently Asked Questions

What is the IUPAC name of 7-[(1E,3E)-3-ethenylhexa-1,3,5-trienyl]-4-phenyl-3,4-dihydro-1H-pyrano[4,3-b]pyridine-2,5-dione?
The IUPAC name of 7-[(1E,3E)-3-ethenylhexa-1,3,5-trienyl]-4-phenyl-3,4-dihydro-1H-pyrano[4,3-b]pyridine-2,5-dione (CID 162358406) is 7-[(1E,3E)-3-ethenylhexa-1,3,5-trienyl]-4-phenyl-3,4-dihydro-1H-pyrano[4,3-b]pyridine-2,5-dione.
What is the SMILES notation for 7-[(1E,3E)-3-ethenylhexa-1,3,5-trienyl]-4-phenyl-3,4-dihydro-1H-pyrano[4,3-b]pyridine-2,5-dione?
The canonical SMILES for 7-[(1E,3E)-3-ethenylhexa-1,3,5-trienyl]-4-phenyl-3,4-dihydro-1H-pyrano[4,3-b]pyridine-2,5-dione is C=C/C=C(C=C)/C=C/c1cc2c(c(=O)o1)C(c1ccccc1)CC(=O)N2.
What is the InChIKey of 7-[(1E,3E)-3-ethenylhexa-1,3,5-trienyl]-4-phenyl-3,4-dihydro-1H-pyrano[4,3-b]pyridine-2,5-dione?
The InChIKey is LIWNJBRIKNPPDC-MCQLXRESSA-N. The full InChI is InChI=1S/C22H19NO3/c1-3-8-15(4-2)11-12-17-13-19-21(22(25)26-17)18(14-20(24)23-19)16-9-6-5-7-10-16/h3-13,18H,1-2,14H2,(H,23,24)/b12-11+,15-8+.
What are the key properties of 7-[(1E,3E)-3-ethenylhexa-1,3,5-trienyl]-4-phenyl-3,4-dihydro-1H-pyrano[4,3-b]pyridine-2,5-dione?
7-[(1E,3E)-3-ethenylhexa-1,3,5-trienyl]-4-phenyl-3,4-dihydro-1H-pyrano[4,3-b]pyridine-2,5-dione has a molecular weight of 345.40 g/mol, XLogP of 4.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(1E,3E)-3-ethenylhexa-1,3,5-trienyl]-4-phenyl-3,4-dihydro-1H-pyrano[4,3-b]pyridine-2,5-dione is sourced from PubChem (CID 162358406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).