6-[5-(4-fluorophenoxy)hexa-2,4-dien-2-yl]-N-[2-(4-methylmorpholin-4-ium-4-yl)ethyl]pyridine-2-carboxamide

C25H31FN3O3+ — CID 123295444

IUPAC6-[5-(4-fluorophenoxy)hexa-2,4-dien-2-yl]-N-[2-(4-methylmorpholin-4-ium-4-yl)ethyl]pyridine-2-carboxamide
SMILESCC(=CC=C(C)c1cccc(C(=O)NCC[N+]2(C)CCOCC2)n1)Oc1ccc(F)cc1
InChIInChI=1S/C25H30FN3O3/c1-19(7-8-20(2)32-22-11-9-21(26)10-12-22)23-5-4-6-24(28-23)25(30)27-13-14-29(3)15-17-31-18-16-29/h4-12H,13-18H2,1-3H3/p+1
InChIKeyYSGFGQAOIRCFAS-UHFFFAOYSA-O
MW440.54 g/mol
LogP3.81
Rot. Bonds8

About 6-[5-(4-fluorophenoxy)hexa-2,4-dien-2-yl]-N-[2-(4-methylmorpholin-4-ium-4-yl)ethyl]pyridine-2-carboxamide

6-[5-(4-fluorophenoxy)hexa-2,4-dien-2-yl]-N-[2-(4-methylmorpholin-4-ium-4-yl)ethyl]pyridine-2-carboxamide (PubChem CID 123295444) has the molecular formula C25H31FN3O3+ and a molecular weight of 440.54 g/mol. Its IUPAC name is 6-[5-(4-fluorophenoxy)hexa-2,4-dien-2-yl]-N-[2-(4-methylmorpholin-4-ium-4-yl)ethyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-[5-(4-fluorophenoxy)hexa-2,4-dien-2-yl]-N-[2-(4-methylmorpholin-4-ium-4-yl)ethyl]pyridine-2-carboxamide
PubChem CID123295444
Molecular FormulaC25H31FN3O3+
Molecular Weight440.54 g/mol
Exact Mass440.23
IUPAC Name6-[5-(4-fluorophenoxy)hexa-2,4-dien-2-yl]-N-[2-(4-methylmorpholin-4-ium-4-yl)ethyl]pyridine-2-carboxamide
SMILESCC(=CC=C(C)c1cccc(C(=O)NCC[N+]2(C)CCOCC2)n1)Oc1ccc(F)cc1
InChIInChI=1S/C25H30FN3O3/c1-19(7-8-20(2)32-22-11-9-21(26)10-12-22)23-5-4-6-24(28-23)25(30)27-13-14-29(3)15-17-31-18-16-29/h4-12H,13-18H2,1-3H3/p+1
InChIKeyYSGFGQAOIRCFAS-UHFFFAOYSA-O
XLogP3.81
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.54
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze 6-[5-(4-fluorophenoxy)hexa-2,4-dien-2-yl]-N-[2-(4-methylmorpholin-4-ium-4-yl)ethyl]pyridine-2-carboxamide 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 6-[5-(4-fluorophenoxy)hexa-2,4-dien-2-yl]-N-[2-(4-methylmorpholin-4-ium-4-yl)ethyl]pyridine-2-carboxamide?
The IUPAC name of 6-[5-(4-fluorophenoxy)hexa-2,4-dien-2-yl]-N-[2-(4-methylmorpholin-4-ium-4-yl)ethyl]pyridine-2-carboxamide (CID 123295444) is 6-[5-(4-fluorophenoxy)hexa-2,4-dien-2-yl]-N-[2-(4-methylmorpholin-4-ium-4-yl)ethyl]pyridine-2-carboxamide.
What is the SMILES notation for 6-[5-(4-fluorophenoxy)hexa-2,4-dien-2-yl]-N-[2-(4-methylmorpholin-4-ium-4-yl)ethyl]pyridine-2-carboxamide?
The canonical SMILES for 6-[5-(4-fluorophenoxy)hexa-2,4-dien-2-yl]-N-[2-(4-methylmorpholin-4-ium-4-yl)ethyl]pyridine-2-carboxamide is CC(=CC=C(C)c1cccc(C(=O)NCC[N+]2(C)CCOCC2)n1)Oc1ccc(F)cc1.
What is the InChIKey of 6-[5-(4-fluorophenoxy)hexa-2,4-dien-2-yl]-N-[2-(4-methylmorpholin-4-ium-4-yl)ethyl]pyridine-2-carboxamide?
The InChIKey is YSGFGQAOIRCFAS-UHFFFAOYSA-O. The full InChI is InChI=1S/C25H30FN3O3/c1-19(7-8-20(2)32-22-11-9-21(26)10-12-22)23-5-4-6-24(28-23)25(30)27-13-14-29(3)15-17-31-18-16-29/h4-12H,13-18H2,1-3H3/p+1.
What are the key properties of 6-[5-(4-fluorophenoxy)hexa-2,4-dien-2-yl]-N-[2-(4-methylmorpholin-4-ium-4-yl)ethyl]pyridine-2-carboxamide?
6-[5-(4-fluorophenoxy)hexa-2,4-dien-2-yl]-N-[2-(4-methylmorpholin-4-ium-4-yl)ethyl]pyridine-2-carboxamide has a molecular weight of 440.54 g/mol, XLogP of 3.81, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(4-fluorophenoxy)hexa-2,4-dien-2-yl]-N-[2-(4-methylmorpholin-4-ium-4-yl)ethyl]pyridine-2-carboxamide is sourced from PubChem (CID 123295444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).