[(Z)-octadec-9-enyl] 2-[(3-hydroxypyridine-2-carbonyl)amino]acetate

C26H42N2O4 — CID 70287213

IUPAC[(Z)-octadec-9-enyl] 2-[(3-hydroxypyridine-2-carbonyl)amino]acetate
SMILESCCCCCCCC/C=C\CCCCCCCCOC(=O)CNC(=O)c1ncccc1O
InChIInChI=1S/C26H42N2O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-32-24(30)22-28-26(31)25-23(29)19-18-20-27-25/h9-10,18-20,29H,2-8,11-17,21-22H2,1H3,(H,28,31)/b10-9-
InChIKeyLNXYXBCUZDLYTO-KTKRTIGZSA-N
MW446.63 g/mol
LogP6.10
Rot. Bonds19

About [(Z)-octadec-9-enyl] 2-[(3-hydroxypyridine-2-carbonyl)amino]acetate

[(Z)-octadec-9-enyl] 2-[(3-hydroxypyridine-2-carbonyl)amino]acetate (PubChem CID 70287213) has the molecular formula C26H42N2O4 and a molecular weight of 446.63 g/mol. Its IUPAC name is [(Z)-octadec-9-enyl] 2-[(3-hydroxypyridine-2-carbonyl)amino]acetate.

Molecular Properties

Compound Name[(Z)-octadec-9-enyl] 2-[(3-hydroxypyridine-2-carbonyl)amino]acetate
PubChem CID70287213
Molecular FormulaC26H42N2O4
Molecular Weight446.63 g/mol
Exact Mass446.31
IUPAC Name[(Z)-octadec-9-enyl] 2-[(3-hydroxypyridine-2-carbonyl)amino]acetate
SMILESCCCCCCCC/C=C\CCCCCCCCOC(=O)CNC(=O)c1ncccc1O
InChIInChI=1S/C26H42N2O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-32-24(30)22-28-26(31)25-23(29)19-18-20-27-25/h9-10,18-20,29H,2-8,11-17,21-22H2,1H3,(H,28,31)/b10-9-
InChIKeyLNXYXBCUZDLYTO-KTKRTIGZSA-N
XLogP6.10
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds19
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.63
LogP ≤ 56.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [(Z)-octadec-9-enyl] 2-[(3-hydroxypyridine-2-carbonyl)amino]acetate 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

octadecyl 2-[(3-methoxypyridine-2-carbonyl)amino]acetate
CID 140993978
hexadecyl 2-[(3-methoxypyridine-2-carbonyl)amino]acetate;dihydrochloride
CID 141182772
tridecyl 2-[(4-ethylbenzoyl)amino]acetate
CID 6422884
[(Z)-octadec-9-enyl] 2-(methylamino)acetate
CID 6436362
hexadecyl 2-[(2-fluorobenzoyl)amino]acetate
CID 6422554
octyl 2-[(2-fluorobenzoyl)amino]acetate
CID 6422546
heptadecyl 2-[(2-fluorobenzoyl)amino]acetate
CID 6422555
bis(octadec-9-enyl) 2-methylidenebutanedioate
CID 54504227
bis[(E)-tridec-5-enyl] butanedioate
CID 101280853
bis[(E)-tridec-6-enyl] butanedioate
CID 101280854
[(E)-hexadec-5-enyl] propanoate
CID 23434883
[(E)-hexadec-9-enyl] pyridine-3-carboxylate
CID 91712082

Frequently Asked Questions

What is the IUPAC name of [(Z)-octadec-9-enyl] 2-[(3-hydroxypyridine-2-carbonyl)amino]acetate?
The IUPAC name of [(Z)-octadec-9-enyl] 2-[(3-hydroxypyridine-2-carbonyl)amino]acetate (CID 70287213) is [(Z)-octadec-9-enyl] 2-[(3-hydroxypyridine-2-carbonyl)amino]acetate.
What is the SMILES notation for [(Z)-octadec-9-enyl] 2-[(3-hydroxypyridine-2-carbonyl)amino]acetate?
The canonical SMILES for [(Z)-octadec-9-enyl] 2-[(3-hydroxypyridine-2-carbonyl)amino]acetate is CCCCCCCC/C=C\CCCCCCCCOC(=O)CNC(=O)c1ncccc1O.
What is the InChIKey of [(Z)-octadec-9-enyl] 2-[(3-hydroxypyridine-2-carbonyl)amino]acetate?
The InChIKey is LNXYXBCUZDLYTO-KTKRTIGZSA-N. The full InChI is InChI=1S/C26H42N2O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-32-24(30)22-28-26(31)25-23(29)19-18-20-27-25/h9-10,18-20,29H,2-8,11-17,21-22H2,1H3,(H,28,31)/b10-9-.
What are the key properties of [(Z)-octadec-9-enyl] 2-[(3-hydroxypyridine-2-carbonyl)amino]acetate?
[(Z)-octadec-9-enyl] 2-[(3-hydroxypyridine-2-carbonyl)amino]acetate has a molecular weight of 446.63 g/mol, XLogP of 6.10, 19 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-octadec-9-enyl] 2-[(3-hydroxypyridine-2-carbonyl)amino]acetate is sourced from PubChem (CID 70287213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).