(5Z,8Z,11Z,14Z)-N-(6-methoxy-3-pyridinyl)icosa-5,8,11,14-tetraenamide

C26H38N2O2 — CID 102274596

IUPAC(5Z,8Z,11Z,14Z)-N-(6-methoxy-3-pyridinyl)icosa-5,8,11,14-tetraenamide
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)Nc1ccc(OC)nc1
InChIInChI=1S/C26H38N2O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25(29)28-24-21-22-26(30-2)27-23-24/h7-8,10-11,13-14,16-17,21-23H,3-6,9,12,15,18-20H2,1-2H3,(H,28,29)/b8-7-,11-10-,14-13-,17-16-
InChIKeyXJTFJARDIGJEJI-ZKWNWVNESA-N
MW410.60 g/mol
LogP7.17
Rot. Bonds16

About (5Z,8Z,11Z,14Z)-N-(6-methoxy-3-pyridinyl)icosa-5,8,11,14-tetraenamide

(5Z,8Z,11Z,14Z)-N-(6-methoxy-3-pyridinyl)icosa-5,8,11,14-tetraenamide (PubChem CID 102274596) has the molecular formula C26H38N2O2 and a molecular weight of 410.60 g/mol. Its IUPAC name is (5Z,8Z,11Z,14Z)-N-(6-methoxy-3-pyridinyl)icosa-5,8,11,14-tetraenamide.

Molecular Properties

Compound Name(5Z,8Z,11Z,14Z)-N-(6-methoxy-3-pyridinyl)icosa-5,8,11,14-tetraenamide
PubChem CID102274596
Molecular FormulaC26H38N2O2
Molecular Weight410.60 g/mol
Exact Mass410.29
IUPAC Name(5Z,8Z,11Z,14Z)-N-(6-methoxy-3-pyridinyl)icosa-5,8,11,14-tetraenamide
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)Nc1ccc(OC)nc1
InChIInChI=1S/C26H38N2O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25(29)28-24-21-22-26(30-2)27-23-24/h7-8,10-11,13-14,16-17,21-23H,3-6,9,12,15,18-20H2,1-2H3,(H,28,29)/b8-7-,11-10-,14-13-,17-16-
InChIKeyXJTFJARDIGJEJI-ZKWNWVNESA-N
XLogP7.17
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.60
LogP ≤ 57.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5Z,8Z,11Z,14Z)-N-(6-methoxy-3-pyridinyl)icosa-5,8,11,14-tetraenamide?
The IUPAC name of (5Z,8Z,11Z,14Z)-N-(6-methoxy-3-pyridinyl)icosa-5,8,11,14-tetraenamide (CID 102274596) is (5Z,8Z,11Z,14Z)-N-(6-methoxy-3-pyridinyl)icosa-5,8,11,14-tetraenamide.
What is the SMILES notation for (5Z,8Z,11Z,14Z)-N-(6-methoxy-3-pyridinyl)icosa-5,8,11,14-tetraenamide?
The canonical SMILES for (5Z,8Z,11Z,14Z)-N-(6-methoxy-3-pyridinyl)icosa-5,8,11,14-tetraenamide is CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)Nc1ccc(OC)nc1.
What is the InChIKey of (5Z,8Z,11Z,14Z)-N-(6-methoxy-3-pyridinyl)icosa-5,8,11,14-tetraenamide?
The InChIKey is XJTFJARDIGJEJI-ZKWNWVNESA-N. The full InChI is InChI=1S/C26H38N2O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25(29)28-24-21-22-26(30-2)27-23-24/h7-8,10-11,13-14,16-17,21-23H,3-6,9,12,15,18-20H2,1-2H3,(H,28,29)/b8-7-,11-10-,14-13-,17-16-.
What are the key properties of (5Z,8Z,11Z,14Z)-N-(6-methoxy-3-pyridinyl)icosa-5,8,11,14-tetraenamide?
(5Z,8Z,11Z,14Z)-N-(6-methoxy-3-pyridinyl)icosa-5,8,11,14-tetraenamide has a molecular weight of 410.60 g/mol, XLogP of 7.17, 16 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,8Z,11Z,14Z)-N-(6-methoxy-3-pyridinyl)icosa-5,8,11,14-tetraenamide is sourced from PubChem (CID 102274596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).