N-methylacetamide;4-[(2E,4Z)-5-methylhepta-2,4,6-trien-2-yl]oxypyridine

C16H22N2O2 — CID 142867351

IUPACN-methylacetamide;4-[(2E,4Z)-5-methylhepta-2,4,6-trien-2-yl]oxypyridine
SMILESC=C/C(C)=C\C=C(/C)Oc1ccncc1.CNC(C)=O
InChIInChI=1S/C13H15NO.C3H7NO/c1-4-11(2)5-6-12(3)15-13-7-9-14-10-8-13;1-3(5)4-2/h4-10H,1H2,2-3H3;1-2H3,(H,4,5)/b11-5-,12-6+;
InChIKeyDCCIPCWJOOJSKK-KFKREPKWSA-N
MW274.36 g/mol
LogP3.25
Rot. Bonds4

About N-methylacetamide;4-[(2E,4Z)-5-methylhepta-2,4,6-trien-2-yl]oxypyridine

N-methylacetamide;4-[(2E,4Z)-5-methylhepta-2,4,6-trien-2-yl]oxypyridine (PubChem CID 142867351) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is N-methylacetamide;4-[(2E,4Z)-5-methylhepta-2,4,6-trien-2-yl]oxypyridine.

Molecular Properties

Compound NameN-methylacetamide;4-[(2E,4Z)-5-methylhepta-2,4,6-trien-2-yl]oxypyridine
PubChem CID142867351
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC NameN-methylacetamide;4-[(2E,4Z)-5-methylhepta-2,4,6-trien-2-yl]oxypyridine
SMILESC=C/C(C)=C\C=C(/C)Oc1ccncc1.CNC(C)=O
InChIInChI=1S/C13H15NO.C3H7NO/c1-4-11(2)5-6-12(3)15-13-7-9-14-10-8-13;1-3(5)4-2/h4-10H,1H2,2-3H3;1-2H3,(H,4,5)/b11-5-,12-6+;
InChIKeyDCCIPCWJOOJSKK-KFKREPKWSA-N
XLogP3.25
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze N-methylacetamide;4-[(2E,4Z)-5-methylhepta-2,4,6-trien-2-yl]oxypyridine 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 N-methylacetamide;4-[(2E,4Z)-5-methylhepta-2,4,6-trien-2-yl]oxypyridine?
The IUPAC name of N-methylacetamide;4-[(2E,4Z)-5-methylhepta-2,4,6-trien-2-yl]oxypyridine (CID 142867351) is N-methylacetamide;4-[(2E,4Z)-5-methylhepta-2,4,6-trien-2-yl]oxypyridine.
What is the SMILES notation for N-methylacetamide;4-[(2E,4Z)-5-methylhepta-2,4,6-trien-2-yl]oxypyridine?
The canonical SMILES for N-methylacetamide;4-[(2E,4Z)-5-methylhepta-2,4,6-trien-2-yl]oxypyridine is C=C/C(C)=C\C=C(/C)Oc1ccncc1.CNC(C)=O.
What is the InChIKey of N-methylacetamide;4-[(2E,4Z)-5-methylhepta-2,4,6-trien-2-yl]oxypyridine?
The InChIKey is DCCIPCWJOOJSKK-KFKREPKWSA-N. The full InChI is InChI=1S/C13H15NO.C3H7NO/c1-4-11(2)5-6-12(3)15-13-7-9-14-10-8-13;1-3(5)4-2/h4-10H,1H2,2-3H3;1-2H3,(H,4,5)/b11-5-,12-6+;.
What are the key properties of N-methylacetamide;4-[(2E,4Z)-5-methylhepta-2,4,6-trien-2-yl]oxypyridine?
N-methylacetamide;4-[(2E,4Z)-5-methylhepta-2,4,6-trien-2-yl]oxypyridine has a molecular weight of 274.36 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylacetamide;4-[(2E,4Z)-5-methylhepta-2,4,6-trien-2-yl]oxypyridine is sourced from PubChem (CID 142867351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).