4-[[5-fluoro-2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]piperidine-1-carboxylic acid

C18H17F2N3O4 — CID 22058471

IUPAC4-[[5-fluoro-2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]piperidine-1-carboxylic acid
SMILESO=C(NC1CCN(C(=O)O)CC1)c1cc(F)cnc1Oc1ccc(F)cc1
InChIInChI=1S/C18H17F2N3O4/c19-11-1-3-14(4-2-11)27-17-15(9-12(20)10-21-17)16(24)22-13-5-7-23(8-6-13)18(25)26/h1-4,9-10,13H,5-8H2,(H,22,24)(H,25,26)
InChIKeyVHAZRTDJRIPROX-UHFFFAOYSA-N
MW377.35 g/mol
LogP3.02
Rot. Bonds4

About 4-[[5-fluoro-2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]piperidine-1-carboxylic acid

4-[[5-fluoro-2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]piperidine-1-carboxylic acid (PubChem CID 22058471) has the molecular formula C18H17F2N3O4 and a molecular weight of 377.35 g/mol. Its IUPAC name is 4-[[5-fluoro-2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[[5-fluoro-2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]piperidine-1-carboxylic acid
PubChem CID22058471
Molecular FormulaC18H17F2N3O4
Molecular Weight377.35 g/mol
Exact Mass377.12
IUPAC Name4-[[5-fluoro-2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]piperidine-1-carboxylic acid
SMILESO=C(NC1CCN(C(=O)O)CC1)c1cc(F)cnc1Oc1ccc(F)cc1
InChIInChI=1S/C18H17F2N3O4/c19-11-1-3-14(4-2-11)27-17-15(9-12(20)10-21-17)16(24)22-13-5-7-23(8-6-13)18(25)26/h1-4,9-10,13H,5-8H2,(H,22,24)(H,25,26)
InChIKeyVHAZRTDJRIPROX-UHFFFAOYSA-N
XLogP3.02
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.35
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[[5-fluoro-2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]piperidine-1-carboxylic acid 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 4-[[5-fluoro-2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]piperidine-1-carboxylic acid?
The IUPAC name of 4-[[5-fluoro-2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]piperidine-1-carboxylic acid (CID 22058471) is 4-[[5-fluoro-2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-[[5-fluoro-2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]piperidine-1-carboxylic acid?
The canonical SMILES for 4-[[5-fluoro-2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]piperidine-1-carboxylic acid is O=C(NC1CCN(C(=O)O)CC1)c1cc(F)cnc1Oc1ccc(F)cc1.
What is the InChIKey of 4-[[5-fluoro-2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]piperidine-1-carboxylic acid?
The InChIKey is VHAZRTDJRIPROX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2N3O4/c19-11-1-3-14(4-2-11)27-17-15(9-12(20)10-21-17)16(24)22-13-5-7-23(8-6-13)18(25)26/h1-4,9-10,13H,5-8H2,(H,22,24)(H,25,26).
What are the key properties of 4-[[5-fluoro-2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]piperidine-1-carboxylic acid?
4-[[5-fluoro-2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]piperidine-1-carboxylic acid has a molecular weight of 377.35 g/mol, XLogP of 3.02, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-fluoro-2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]piperidine-1-carboxylic acid is sourced from PubChem (CID 22058471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).