2-pyridin-4-yldocosa-4,7,10,13,16,19-hexaenamide

C27H36N2O — CID 140608204

IUPAC2-pyridin-4-yldocosa-4,7,10,13,16,19-hexaenamide
SMILESCCC=CCC=CCC=CCC=CCC=CCC=CCC(C(N)=O)c1ccncc1
InChIInChI=1S/C27H36N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26(27(28)30)25-21-23-29-24-22-25/h3-4,6-7,9-10,12-13,15-16,18-19,21-24,26H,2,5,8,11,14,17,20H2,1H3,(H2,28,30)
InChIKeyLZAJGIDLTVSGQO-UHFFFAOYSA-N
MW404.60 g/mol
LogP6.74
Rot. Bonds15

About 2-pyridin-4-yldocosa-4,7,10,13,16,19-hexaenamide

2-pyridin-4-yldocosa-4,7,10,13,16,19-hexaenamide (PubChem CID 140608204) has the molecular formula C27H36N2O and a molecular weight of 404.60 g/mol. Its IUPAC name is 2-pyridin-4-yldocosa-4,7,10,13,16,19-hexaenamide.

Molecular Properties

Compound Name2-pyridin-4-yldocosa-4,7,10,13,16,19-hexaenamide
PubChem CID140608204
Molecular FormulaC27H36N2O
Molecular Weight404.60 g/mol
Exact Mass404.28
IUPAC Name2-pyridin-4-yldocosa-4,7,10,13,16,19-hexaenamide
SMILESCCC=CCC=CCC=CCC=CCC=CCC=CCC(C(N)=O)c1ccncc1
InChIInChI=1S/C27H36N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26(27(28)30)25-21-23-29-24-22-25/h3-4,6-7,9-10,12-13,15-16,18-19,21-24,26H,2,5,8,11,14,17,20H2,1H3,(H2,28,30)
InChIKeyLZAJGIDLTVSGQO-UHFFFAOYSA-N
XLogP6.74
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.60
LogP ≤ 56.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-pyridin-4-yldocosa-4,7,10,13,16,19-hexaenamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-4-yldocosa-4,7,10,13,16,19-hexaenamide?
The IUPAC name of 2-pyridin-4-yldocosa-4,7,10,13,16,19-hexaenamide (CID 140608204) is 2-pyridin-4-yldocosa-4,7,10,13,16,19-hexaenamide.
What is the SMILES notation for 2-pyridin-4-yldocosa-4,7,10,13,16,19-hexaenamide?
The canonical SMILES for 2-pyridin-4-yldocosa-4,7,10,13,16,19-hexaenamide is CCC=CCC=CCC=CCC=CCC=CCC=CCC(C(N)=O)c1ccncc1.
What is the InChIKey of 2-pyridin-4-yldocosa-4,7,10,13,16,19-hexaenamide?
The InChIKey is LZAJGIDLTVSGQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26(27(28)30)25-21-23-29-24-22-25/h3-4,6-7,9-10,12-13,15-16,18-19,21-24,26H,2,5,8,11,14,17,20H2,1H3,(H2,28,30).
What are the key properties of 2-pyridin-4-yldocosa-4,7,10,13,16,19-hexaenamide?
2-pyridin-4-yldocosa-4,7,10,13,16,19-hexaenamide has a molecular weight of 404.60 g/mol, XLogP of 6.74, 15 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-4-yldocosa-4,7,10,13,16,19-hexaenamide is sourced from PubChem (CID 140608204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).