2-(4-fluorophenoxy)-4-methoxy-N-[(E)-methoxyiminomethyl]pyridine-3-carboxamide

C15H14FN3O4 — CID 135478062

IUPAC2-(4-fluorophenoxy)-4-methoxy-N-[(E)-methoxyiminomethyl]pyridine-3-carboxamide
SMILESCO/N=C/NC(=O)c1c(OC)ccnc1Oc1ccc(F)cc1
InChIInChI=1S/C15H14FN3O4/c1-21-12-7-8-17-15(13(12)14(20)18-9-19-22-2)23-11-5-3-10(16)4-6-11/h3-9H,1-2H3,(H,18,19,20)
InChIKeyKMESXTKSXCJSDL-UHFFFAOYSA-N
MW319.29 g/mol
LogP2.34
Rot. Bonds6

About 2-(4-fluorophenoxy)-4-methoxy-N-[(E)-methoxyiminomethyl]pyridine-3-carboxamide

2-(4-fluorophenoxy)-4-methoxy-N-[(E)-methoxyiminomethyl]pyridine-3-carboxamide (PubChem CID 135478062) has the molecular formula C15H14FN3O4 and a molecular weight of 319.29 g/mol. Its IUPAC name is 2-(4-fluorophenoxy)-4-methoxy-N-[(E)-methoxyiminomethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(4-fluorophenoxy)-4-methoxy-N-[(E)-methoxyiminomethyl]pyridine-3-carboxamide
PubChem CID135478062
Molecular FormulaC15H14FN3O4
Molecular Weight319.29 g/mol
Exact Mass319.10
IUPAC Name2-(4-fluorophenoxy)-4-methoxy-N-[(E)-methoxyiminomethyl]pyridine-3-carboxamide
SMILESCO/N=C/NC(=O)c1c(OC)ccnc1Oc1ccc(F)cc1
InChIInChI=1S/C15H14FN3O4/c1-21-12-7-8-17-15(13(12)14(20)18-9-19-22-2)23-11-5-3-10(16)4-6-11/h3-9H,1-2H3,(H,18,19,20)
InChIKeyKMESXTKSXCJSDL-UHFFFAOYSA-N
XLogP2.34
TPSA82.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.29
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-(4-fluorophenoxy)-4-methoxy-N-[(E)-methoxyiminomethyl]pyridine-3-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 2-(4-fluorophenoxy)-4-methoxy-N-[(E)-methoxyiminomethyl]pyridine-3-carboxamide?
The IUPAC name of 2-(4-fluorophenoxy)-4-methoxy-N-[(E)-methoxyiminomethyl]pyridine-3-carboxamide (CID 135478062) is 2-(4-fluorophenoxy)-4-methoxy-N-[(E)-methoxyiminomethyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-(4-fluorophenoxy)-4-methoxy-N-[(E)-methoxyiminomethyl]pyridine-3-carboxamide?
The canonical SMILES for 2-(4-fluorophenoxy)-4-methoxy-N-[(E)-methoxyiminomethyl]pyridine-3-carboxamide is CO/N=C/NC(=O)c1c(OC)ccnc1Oc1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenoxy)-4-methoxy-N-[(E)-methoxyiminomethyl]pyridine-3-carboxamide?
The InChIKey is KMESXTKSXCJSDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3O4/c1-21-12-7-8-17-15(13(12)14(20)18-9-19-22-2)23-11-5-3-10(16)4-6-11/h3-9H,1-2H3,(H,18,19,20).
What are the key properties of 2-(4-fluorophenoxy)-4-methoxy-N-[(E)-methoxyiminomethyl]pyridine-3-carboxamide?
2-(4-fluorophenoxy)-4-methoxy-N-[(E)-methoxyiminomethyl]pyridine-3-carboxamide has a molecular weight of 319.29 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenoxy)-4-methoxy-N-[(E)-methoxyiminomethyl]pyridine-3-carboxamide is sourced from PubChem (CID 135478062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).