2-[6-(4-cyanophenyl)-3-pyridinyl]hexa-2,4-dienoic acid

C18H14N2O2 — CID 154221794

IUPAC2-[6-(4-cyanophenyl)-3-pyridinyl]hexa-2,4-dienoic acid
SMILESCC=CC=C(C(=O)O)c1ccc(-c2ccc(C#N)cc2)nc1
InChIInChI=1S/C18H14N2O2/c1-2-3-4-16(18(21)22)15-9-10-17(20-12-15)14-7-5-13(11-19)6-8-14/h2-10,12H,1H3,(H,21,22)
InChIKeyNLLXLPDDSLIEPP-UHFFFAOYSA-N
MW290.32 g/mol
LogP3.66
Rot. Bonds4

About 2-[6-(4-cyanophenyl)-3-pyridinyl]hexa-2,4-dienoic acid

2-[6-(4-cyanophenyl)-3-pyridinyl]hexa-2,4-dienoic acid (PubChem CID 154221794) has the molecular formula C18H14N2O2 and a molecular weight of 290.32 g/mol. Its IUPAC name is 2-[6-(4-cyanophenyl)-3-pyridinyl]hexa-2,4-dienoic acid.

Molecular Properties

Compound Name2-[6-(4-cyanophenyl)-3-pyridinyl]hexa-2,4-dienoic acid
PubChem CID154221794
Molecular FormulaC18H14N2O2
Molecular Weight290.32 g/mol
Exact Mass290.11
IUPAC Name2-[6-(4-cyanophenyl)-3-pyridinyl]hexa-2,4-dienoic acid
SMILESCC=CC=C(C(=O)O)c1ccc(-c2ccc(C#N)cc2)nc1
InChIInChI=1S/C18H14N2O2/c1-2-3-4-16(18(21)22)15-9-10-17(20-12-15)14-7-5-13(11-19)6-8-14/h2-10,12H,1H3,(H,21,22)
InChIKeyNLLXLPDDSLIEPP-UHFFFAOYSA-N
XLogP3.66
TPSA73.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[6-(4-cyanophenyl)-3-pyridinyl]hexa-2,4-dienoic 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

2-[4-(5-cyanopyrimidin-2-yl)phenyl]hexa-2,4-dienoic acid
CID 154330599
(2E,4E)-2-[4-(6-cyano-3-pyridinyl)phenyl]hexa-2,4-dienoic acid
CID 172750492
6-[4-(5-cyano-2-pyridinyl)phenyl]pyridine-3-carbonitrile
CID 11849612
6-(4-cyanophenyl)-N-imidazol-1-ylpyridine-3-carboxamide
CID 174726187
5-[6-(4-cyanophenyl)-3-pyridinyl]pyrazine-2-carbonitrile
CID 67751358
4-(4-cyanophenyl)benzoic acid;ethane
CID 143220259
4-[4-(4-cyanophenyl)phenyl]benzoic acid
CID 102170624
4-[4-[5-[(E)-oct-6-enoxy]-2-pyridinyl]phenyl]benzonitrile
CID 70153099
6-(4-fluorophenyl)pyridine-3-carboxylic acid
CID 22730186
4-[5-[2-(4-ethylphenyl)ethyl]-2-pyridinyl]benzonitrile
CID 19842018
4-[5-(1-aminopropyl)-2-pyridinyl]benzonitrile
CID 70671232
4-(5-cyclopropyl-2-pyridinyl)benzonitrile
CID 138566548

Frequently Asked Questions

What is the IUPAC name of 2-[6-(4-cyanophenyl)-3-pyridinyl]hexa-2,4-dienoic acid?
The IUPAC name of 2-[6-(4-cyanophenyl)-3-pyridinyl]hexa-2,4-dienoic acid (CID 154221794) is 2-[6-(4-cyanophenyl)-3-pyridinyl]hexa-2,4-dienoic acid.
What is the SMILES notation for 2-[6-(4-cyanophenyl)-3-pyridinyl]hexa-2,4-dienoic acid?
The canonical SMILES for 2-[6-(4-cyanophenyl)-3-pyridinyl]hexa-2,4-dienoic acid is CC=CC=C(C(=O)O)c1ccc(-c2ccc(C#N)cc2)nc1.
What is the InChIKey of 2-[6-(4-cyanophenyl)-3-pyridinyl]hexa-2,4-dienoic acid?
The InChIKey is NLLXLPDDSLIEPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O2/c1-2-3-4-16(18(21)22)15-9-10-17(20-12-15)14-7-5-13(11-19)6-8-14/h2-10,12H,1H3,(H,21,22).
What are the key properties of 2-[6-(4-cyanophenyl)-3-pyridinyl]hexa-2,4-dienoic acid?
2-[6-(4-cyanophenyl)-3-pyridinyl]hexa-2,4-dienoic acid has a molecular weight of 290.32 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(4-cyanophenyl)-3-pyridinyl]hexa-2,4-dienoic acid is sourced from PubChem (CID 154221794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).