(2E,4E)-N-(2-ethoxy-3-pyridinyl)hexa-2,4-dienamide

C13H16N2O2 — CID 34958124

IUPAC(2E,4E)-N-(2-ethoxy-3-pyridinyl)hexa-2,4-dienamide
SMILESC/C=C/C=C/C(=O)Nc1cccnc1OCC
InChIInChI=1S/C13H16N2O2/c1-3-5-6-9-12(16)15-11-8-7-10-14-13(11)17-4-2/h3,5-10H,4H2,1-2H3,(H,15,16)/b5-3+,9-6+
InChIKeyZTRDWRRJKPFPAU-USXIXMCRSA-N
MW232.28 g/mol
LogP2.55
Rot. Bonds5

About (2E,4E)-N-(2-ethoxy-3-pyridinyl)hexa-2,4-dienamide

(2E,4E)-N-(2-ethoxy-3-pyridinyl)hexa-2,4-dienamide (PubChem CID 34958124) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is (2E,4E)-N-(2-ethoxy-3-pyridinyl)hexa-2,4-dienamide.

Molecular Properties

Compound Name(2E,4E)-N-(2-ethoxy-3-pyridinyl)hexa-2,4-dienamide
PubChem CID34958124
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name(2E,4E)-N-(2-ethoxy-3-pyridinyl)hexa-2,4-dienamide
SMILESC/C=C/C=C/C(=O)Nc1cccnc1OCC
InChIInChI=1S/C13H16N2O2/c1-3-5-6-9-12(16)15-11-8-7-10-14-13(11)17-4-2/h3,5-10H,4H2,1-2H3,(H,15,16)/b5-3+,9-6+
InChIKeyZTRDWRRJKPFPAU-USXIXMCRSA-N
XLogP2.55
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.55
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 (2E,4E)-N-(2-ethoxy-3-pyridinyl)hexa-2,4-dienamide 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-bromo-N-(2-ethoxy-3-pyridinyl)-2-methylpropanamide
CID 114327859
2-amino-N-(2-ethoxy-3-pyridinyl)-2-ethylbutanamide
CID 79809690
2-[2-[[(2E,4E)-hexa-2,4-dienoyl]amino]phenoxy]acetic acid
CID 55242457
N-(2-ethoxy-3-pyridinyl)-2-methyl-3-(methylamino)propanamide
CID 79196186
1-amino-N-(2-ethoxy-3-pyridinyl)cyclopropane-1-carboxamide
CID 65467015
(2E,4E)-N-(2-methoxyphenyl)hexa-2,4-dienamide
CID 17358788
N-(2-ethoxy-3-pyridinyl)cyclohexanecarboxamide
CID 34958678
(2S,6S)-N-(2-ethoxy-3-pyridinyl)-2,6-dimethylmorpholine-4-carboxamide
CID 94028765
2-[2-(aminomethyl)phenyl]-N-(2-ethoxy-3-pyridinyl)acetamide
CID 81311348
2-amino-N-(2-ethoxy-3-pyridinyl)-4-methylpentanamide
CID 43706630
N-(2-ethoxy-3-pyridinyl)thiophene-3-carboxamide
CID 34879256
(2S)-2-amino-N-(2-ethoxy-3-pyridinyl)-4-methylpentanamide
CID 61178380

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-N-(2-ethoxy-3-pyridinyl)hexa-2,4-dienamide?
The IUPAC name of (2E,4E)-N-(2-ethoxy-3-pyridinyl)hexa-2,4-dienamide (CID 34958124) is (2E,4E)-N-(2-ethoxy-3-pyridinyl)hexa-2,4-dienamide.
What is the SMILES notation for (2E,4E)-N-(2-ethoxy-3-pyridinyl)hexa-2,4-dienamide?
The canonical SMILES for (2E,4E)-N-(2-ethoxy-3-pyridinyl)hexa-2,4-dienamide is C/C=C/C=C/C(=O)Nc1cccnc1OCC.
What is the InChIKey of (2E,4E)-N-(2-ethoxy-3-pyridinyl)hexa-2,4-dienamide?
The InChIKey is ZTRDWRRJKPFPAU-USXIXMCRSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-3-5-6-9-12(16)15-11-8-7-10-14-13(11)17-4-2/h3,5-10H,4H2,1-2H3,(H,15,16)/b5-3+,9-6+.
What are the key properties of (2E,4E)-N-(2-ethoxy-3-pyridinyl)hexa-2,4-dienamide?
(2E,4E)-N-(2-ethoxy-3-pyridinyl)hexa-2,4-dienamide has a molecular weight of 232.28 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-N-(2-ethoxy-3-pyridinyl)hexa-2,4-dienamide is sourced from PubChem (CID 34958124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).