(1E,4E)-1,5-bis(3-ethynyl-2-pyridinyl)penta-1,4-dien-3-one

C19H12N2O — CID 56955722

IUPAC(1E,4E)-1,5-bis(3-ethynyl-2-pyridinyl)penta-1,4-dien-3-one
SMILESC#Cc1cccnc1/C=C/C(=O)/C=C/c1ncccc1C#C
InChIInChI=1S/C19H12N2O/c1-3-15-7-5-13-20-18(15)11-9-17(22)10-12-19-16(4-2)8-6-14-21-19/h1-2,5-14H/b11-9+,12-10+
InChIKeyWMOJMQLVEIXVCO-WGDLNXRISA-N
MW284.32 g/mol
LogP2.73
Rot. Bonds4

About (1E,4E)-1,5-bis(3-ethynyl-2-pyridinyl)penta-1,4-dien-3-one

(1E,4E)-1,5-bis(3-ethynyl-2-pyridinyl)penta-1,4-dien-3-one (PubChem CID 56955722) has the molecular formula C19H12N2O and a molecular weight of 284.32 g/mol. Its IUPAC name is (1E,4E)-1,5-bis(3-ethynyl-2-pyridinyl)penta-1,4-dien-3-one.

Molecular Properties

Compound Name(1E,4E)-1,5-bis(3-ethynyl-2-pyridinyl)penta-1,4-dien-3-one
PubChem CID56955722
Molecular FormulaC19H12N2O
Molecular Weight284.32 g/mol
Exact Mass284.09
IUPAC Name(1E,4E)-1,5-bis(3-ethynyl-2-pyridinyl)penta-1,4-dien-3-one
SMILESC#Cc1cccnc1/C=C/C(=O)/C=C/c1ncccc1C#C
InChIInChI=1S/C19H12N2O/c1-3-15-7-5-13-20-18(15)11-9-17(22)10-12-19-16(4-2)8-6-14-21-19/h1-2,5-14H/b11-9+,12-10+
InChIKeyWMOJMQLVEIXVCO-WGDLNXRISA-N
XLogP2.73
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (1E,4E)-1,5-bis(3-ethynyl-2-pyridinyl)penta-1,4-dien-3-one 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

2,3'-Bipyridine
CID 11389
2,4'-Bipyridine
CID 68488
(2E,6E)-2,6-bis(pyridin-4-ylmethylene)cyclohexanone
CID 6018993
(2E)-3-(3-Pyridinyl)-1-(4-pyridinyl)-2-propen-1-one
CID 5720233
2,6-Bis(2-pyridyl)-4(1H)-pyridone
CID 619353
1-(2-Pyridyl)-2-(3-pyridyl)-ethylene
CID 5374801
trans-2,4'-Vinylenedipyridine
CID 6303920
2-(2-(3-Pyridinyl)ethyl)pyridine
CID 248743
(2Z,6E)-4-methyl-2,6-bis(pyridin-4-ylmethylene)cyclohexanone
CID 16188433
5-((6-Methylpyridin-2-yl)ethynyl)nicotinonitrile
CID 46861851
(3E,5E)-1-methyl-3,5-bis(pyridin-2-ylmethylidene)piperidin-4-one
CID 2132479
(3E,5E)-1-Methyl-3,5-bis[(pyridin-4-YL)methylidene]piperidin-4-one
CID 5470919

Frequently Asked Questions

What is the IUPAC name of (1E,4E)-1,5-bis(3-ethynyl-2-pyridinyl)penta-1,4-dien-3-one?
The IUPAC name of (1E,4E)-1,5-bis(3-ethynyl-2-pyridinyl)penta-1,4-dien-3-one (CID 56955722) is (1E,4E)-1,5-bis(3-ethynyl-2-pyridinyl)penta-1,4-dien-3-one.
What is the SMILES notation for (1E,4E)-1,5-bis(3-ethynyl-2-pyridinyl)penta-1,4-dien-3-one?
The canonical SMILES for (1E,4E)-1,5-bis(3-ethynyl-2-pyridinyl)penta-1,4-dien-3-one is C#Cc1cccnc1/C=C/C(=O)/C=C/c1ncccc1C#C.
What is the InChIKey of (1E,4E)-1,5-bis(3-ethynyl-2-pyridinyl)penta-1,4-dien-3-one?
The InChIKey is WMOJMQLVEIXVCO-WGDLNXRISA-N. The full InChI is InChI=1S/C19H12N2O/c1-3-15-7-5-13-20-18(15)11-9-17(22)10-12-19-16(4-2)8-6-14-21-19/h1-2,5-14H/b11-9+,12-10+.
What are the key properties of (1E,4E)-1,5-bis(3-ethynyl-2-pyridinyl)penta-1,4-dien-3-one?
(1E,4E)-1,5-bis(3-ethynyl-2-pyridinyl)penta-1,4-dien-3-one has a molecular weight of 284.32 g/mol, XLogP of 2.73, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,4E)-1,5-bis(3-ethynyl-2-pyridinyl)penta-1,4-dien-3-one is sourced from PubChem (CID 56955722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).