(9Z,12Z)-18-pyridin-2-yloctadeca-9,12-dienamide

C23H36N2O — CID 122703922

IUPAC(9Z,12Z)-18-pyridin-2-yloctadeca-9,12-dienamide
SMILESNC(=O)CCCCCCC/C=C\C/C=C\CCCCCc1ccccn1
InChIInChI=1S/C23H36N2O/c24-23(26)20-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-18-22-19-16-17-21-25-22/h1,3-4,6,16-17,19,21H,2,5,7-15,18,20H2,(H2,24,26)/b3-1-,6-4-
InChIKeyLNKYJUGJLXMNEU-OVYZBVKCSA-N
MW356.55 g/mol
LogP5.90
Rot. Bonds16

About (9Z,12Z)-18-pyridin-2-yloctadeca-9,12-dienamide

(9Z,12Z)-18-pyridin-2-yloctadeca-9,12-dienamide (PubChem CID 122703922) has the molecular formula C23H36N2O and a molecular weight of 356.55 g/mol. Its IUPAC name is (9Z,12Z)-18-pyridin-2-yloctadeca-9,12-dienamide.

Molecular Properties

Compound Name(9Z,12Z)-18-pyridin-2-yloctadeca-9,12-dienamide
PubChem CID122703922
Molecular FormulaC23H36N2O
Molecular Weight356.55 g/mol
Exact Mass356.28
IUPAC Name(9Z,12Z)-18-pyridin-2-yloctadeca-9,12-dienamide
SMILESNC(=O)CCCCCCC/C=C\C/C=C\CCCCCc1ccccn1
InChIInChI=1S/C23H36N2O/c24-23(26)20-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-18-22-19-16-17-21-25-22/h1,3-4,6,16-17,19,21H,2,5,7-15,18,20H2,(H2,24,26)/b3-1-,6-4-
InChIKeyLNKYJUGJLXMNEU-OVYZBVKCSA-N
XLogP5.90
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.55
LogP ≤ 55.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

heptatriaconta-9,12,25,28-tetraenediamide
CID 154187991
octatriaconta-9,12,26,29-tetraenediamide
CID 154085850
6-pyridin-2-ylhexanoate
CID 7109691
(tetrabutyl-λ5-phosphanyl) (Z)-18-pyridin-2-yloctadec-9-enoate
CID 154586029
2-(14-pyridin-2-yltetradecyl)pyridine
CID 10594187
ethyl 12-pyridin-2-yldodecanoate
CID 3298183
2-hex-4-enylpyridine
CID 174507430
2-oct-7-enylpyridine
CID 57031977
(Z)-18-pyridin-3-yloctadec-9-enamide
CID 122703819
(E)-hexadec-8-enediamide
CID 21140246
dopentaconta-13,39-dienediamide
CID 154089546
(5Z,8Z,11Z,14Z)-20-[2-(dimethylamino)phenyl]icosa-5,8,11,14-tetraenamide
CID 122703848

Frequently Asked Questions

What is the IUPAC name of (9Z,12Z)-18-pyridin-2-yloctadeca-9,12-dienamide?
The IUPAC name of (9Z,12Z)-18-pyridin-2-yloctadeca-9,12-dienamide (CID 122703922) is (9Z,12Z)-18-pyridin-2-yloctadeca-9,12-dienamide.
What is the SMILES notation for (9Z,12Z)-18-pyridin-2-yloctadeca-9,12-dienamide?
The canonical SMILES for (9Z,12Z)-18-pyridin-2-yloctadeca-9,12-dienamide is NC(=O)CCCCCCC/C=C\C/C=C\CCCCCc1ccccn1.
What is the InChIKey of (9Z,12Z)-18-pyridin-2-yloctadeca-9,12-dienamide?
The InChIKey is LNKYJUGJLXMNEU-OVYZBVKCSA-N. The full InChI is InChI=1S/C23H36N2O/c24-23(26)20-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-18-22-19-16-17-21-25-22/h1,3-4,6,16-17,19,21H,2,5,7-15,18,20H2,(H2,24,26)/b3-1-,6-4-.
What are the key properties of (9Z,12Z)-18-pyridin-2-yloctadeca-9,12-dienamide?
(9Z,12Z)-18-pyridin-2-yloctadeca-9,12-dienamide has a molecular weight of 356.55 g/mol, XLogP of 5.90, 16 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (9Z,12Z)-18-pyridin-2-yloctadeca-9,12-dienamide is sourced from PubChem (CID 122703922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).