4-[(2E)-penta-2,4-dien-2-yl]-N-pyridin-2-ylbenzamide

C17H16N2O — CID 146637347

IUPAC4-[(2E)-penta-2,4-dien-2-yl]-N-pyridin-2-ylbenzamide
SMILESC=C/C=C(\C)c1ccc(C(=O)Nc2ccccn2)cc1
InChIInChI=1S/C17H16N2O/c1-3-6-13(2)14-8-10-15(11-9-14)17(20)19-16-7-4-5-12-18-16/h3-12H,1H2,2H3,(H,18,19,20)/b13-6+
InChIKeyYNVNRUKGWDWALY-AWNIVKPZSA-N
MW264.33 g/mol
LogP3.92
Rot. Bonds4

About 4-[(2E)-penta-2,4-dien-2-yl]-N-pyridin-2-ylbenzamide

4-[(2E)-penta-2,4-dien-2-yl]-N-pyridin-2-ylbenzamide (PubChem CID 146637347) has the molecular formula C17H16N2O and a molecular weight of 264.33 g/mol. Its IUPAC name is 4-[(2E)-penta-2,4-dien-2-yl]-N-pyridin-2-ylbenzamide.

Molecular Properties

Compound Name4-[(2E)-penta-2,4-dien-2-yl]-N-pyridin-2-ylbenzamide
PubChem CID146637347
Molecular FormulaC17H16N2O
Molecular Weight264.33 g/mol
Exact Mass264.13
IUPAC Name4-[(2E)-penta-2,4-dien-2-yl]-N-pyridin-2-ylbenzamide
SMILESC=C/C=C(\C)c1ccc(C(=O)Nc2ccccn2)cc1
InChIInChI=1S/C17H16N2O/c1-3-6-13(2)14-8-10-15(11-9-14)17(20)19-16-7-4-5-12-18-16/h3-12H,1H2,2H3,(H,18,19,20)/b13-6+
InChIKeyYNVNRUKGWDWALY-AWNIVKPZSA-N
XLogP3.92
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(2E)-penta-2,4-dien-2-yl]-N-pyridin-2-ylbenzamide?
The IUPAC name of 4-[(2E)-penta-2,4-dien-2-yl]-N-pyridin-2-ylbenzamide (CID 146637347) is 4-[(2E)-penta-2,4-dien-2-yl]-N-pyridin-2-ylbenzamide.
What is the SMILES notation for 4-[(2E)-penta-2,4-dien-2-yl]-N-pyridin-2-ylbenzamide?
The canonical SMILES for 4-[(2E)-penta-2,4-dien-2-yl]-N-pyridin-2-ylbenzamide is C=C/C=C(\C)c1ccc(C(=O)Nc2ccccn2)cc1.
What is the InChIKey of 4-[(2E)-penta-2,4-dien-2-yl]-N-pyridin-2-ylbenzamide?
The InChIKey is YNVNRUKGWDWALY-AWNIVKPZSA-N. The full InChI is InChI=1S/C17H16N2O/c1-3-6-13(2)14-8-10-15(11-9-14)17(20)19-16-7-4-5-12-18-16/h3-12H,1H2,2H3,(H,18,19,20)/b13-6+.
What are the key properties of 4-[(2E)-penta-2,4-dien-2-yl]-N-pyridin-2-ylbenzamide?
4-[(2E)-penta-2,4-dien-2-yl]-N-pyridin-2-ylbenzamide has a molecular weight of 264.33 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2E)-penta-2,4-dien-2-yl]-N-pyridin-2-ylbenzamide is sourced from PubChem (CID 146637347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).