1,3-diphenyl-5-pyridin-3-ylpent-2-ene-1,5-dione

C22H17NO2 — CID 4267792

IUPAC1,3-diphenyl-5-pyridin-3-ylpent-2-ene-1,5-dione
SMILESO=C(C=C(CC(=O)c1cccnc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C22H17NO2/c24-21(18-10-5-2-6-11-18)14-20(17-8-3-1-4-9-17)15-22(25)19-12-7-13-23-16-19/h1-14,16H,15H2
InChIKeyFQXYAKCDPIWMIV-UHFFFAOYSA-N
MW327.38 g/mol
LogP4.62
Rot. Bonds6

About 1,3-diphenyl-5-pyridin-3-ylpent-2-ene-1,5-dione

1,3-diphenyl-5-pyridin-3-ylpent-2-ene-1,5-dione (PubChem CID 4267792) has the molecular formula C22H17NO2 and a molecular weight of 327.38 g/mol. Its IUPAC name is 1,3-diphenyl-5-pyridin-3-ylpent-2-ene-1,5-dione.

Molecular Properties

Compound Name1,3-diphenyl-5-pyridin-3-ylpent-2-ene-1,5-dione
PubChem CID4267792
Molecular FormulaC22H17NO2
Molecular Weight327.38 g/mol
Exact Mass327.13
IUPAC Name1,3-diphenyl-5-pyridin-3-ylpent-2-ene-1,5-dione
SMILESO=C(C=C(CC(=O)c1cccnc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C22H17NO2/c24-21(18-10-5-2-6-11-18)14-20(17-8-3-1-4-9-17)15-22(25)19-12-7-13-23-16-19/h1-14,16H,15H2
InChIKeyFQXYAKCDPIWMIV-UHFFFAOYSA-N
XLogP4.62
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(Z)-3-pyridin-3-ylpent-2-enedioic acid
CID 67454114
(E)-3-pyridin-3-ylpent-2-enedioic acid
CID 67454116
1-(4-fluorophenyl)-3,5-diphenylpent-2-ene-1,5-dione
CID 2801867
3-oxo-3-pyridin-3-ylpropanoyl chloride
CID 23438608
3-hydroxy-3-pyridin-3-yl-1-pyridin-4-ylprop-2-en-1-one
CID 139178157
1-[6-(3-oxo-3-pyridin-3-ylpropanoyl)-2-pyridinyl]-3-pyridin-3-ylpropane-1,3-dione
CID 123224159
CID 172748531
CID 172748531
(E)-3-[4-(dimethylamino)phenyl]-1,5-diphenylpent-2-ene-1,5-dione
CID 177497438
3-oxo-3-pyridin-3-ylpropanehydrazide
CID 150015439
1-phenyl-2-pyridin-3-ylethane-1,2-dione
CID 10987556
benzene;pyridine-3-carboxamide
CID 66766032
4,4,4-trifluoro-1-pyridin-3-ylbutane-1,3-dione;hydrochloride
CID 163330137

Frequently Asked Questions

What is the IUPAC name of 1,3-diphenyl-5-pyridin-3-ylpent-2-ene-1,5-dione?
The IUPAC name of 1,3-diphenyl-5-pyridin-3-ylpent-2-ene-1,5-dione (CID 4267792) is 1,3-diphenyl-5-pyridin-3-ylpent-2-ene-1,5-dione.
What is the SMILES notation for 1,3-diphenyl-5-pyridin-3-ylpent-2-ene-1,5-dione?
The canonical SMILES for 1,3-diphenyl-5-pyridin-3-ylpent-2-ene-1,5-dione is O=C(C=C(CC(=O)c1cccnc1)c1ccccc1)c1ccccc1.
What is the InChIKey of 1,3-diphenyl-5-pyridin-3-ylpent-2-ene-1,5-dione?
The InChIKey is FQXYAKCDPIWMIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17NO2/c24-21(18-10-5-2-6-11-18)14-20(17-8-3-1-4-9-17)15-22(25)19-12-7-13-23-16-19/h1-14,16H,15H2.
What are the key properties of 1,3-diphenyl-5-pyridin-3-ylpent-2-ene-1,5-dione?
1,3-diphenyl-5-pyridin-3-ylpent-2-ene-1,5-dione has a molecular weight of 327.38 g/mol, XLogP of 4.62, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diphenyl-5-pyridin-3-ylpent-2-ene-1,5-dione is sourced from PubChem (CID 4267792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).