N-(4-fluorophenyl)-2-oxospiro[1H-pyrido[2,3-b][1,4]oxazine-3,3'-pyrrolidine]-6-carboxamide

C17H15FN4O3 — CID 137378686

IUPACN-(4-fluorophenyl)-2-oxospiro[1H-pyrido[2,3-b][1,4]oxazine-3,3'-pyrrolidine]-6-carboxamide
SMILESO=C(Nc1ccc(F)cc1)c1ccc2c(n1)OC1(CCNC1)C(=O)N2
InChIInChI=1S/C17H15FN4O3/c18-10-1-3-11(4-2-10)20-14(23)12-5-6-13-15(21-12)25-17(16(24)22-13)7-8-19-9-17/h1-6,19H,7-9H2,(H,20,23)(H,22,24)
InChIKeyAXZKVEMKWHNZCF-UHFFFAOYSA-N
MW342.33 g/mol
LogP1.54
Rot. Bonds2

About N-(4-fluorophenyl)-2-oxospiro[1H-pyrido[2,3-b][1,4]oxazine-3,3'-pyrrolidine]-6-carboxamide

N-(4-fluorophenyl)-2-oxospiro[1H-pyrido[2,3-b][1,4]oxazine-3,3'-pyrrolidine]-6-carboxamide (PubChem CID 137378686) has the molecular formula C17H15FN4O3 and a molecular weight of 342.33 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-oxospiro[1H-pyrido[2,3-b][1,4]oxazine-3,3'-pyrrolidine]-6-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-oxospiro[1H-pyrido[2,3-b][1,4]oxazine-3,3'-pyrrolidine]-6-carboxamide
PubChem CID137378686
Molecular FormulaC17H15FN4O3
Molecular Weight342.33 g/mol
Exact Mass342.11
IUPAC NameN-(4-fluorophenyl)-2-oxospiro[1H-pyrido[2,3-b][1,4]oxazine-3,3'-pyrrolidine]-6-carboxamide
SMILESO=C(Nc1ccc(F)cc1)c1ccc2c(n1)OC1(CCNC1)C(=O)N2
InChIInChI=1S/C17H15FN4O3/c18-10-1-3-11(4-2-10)20-14(23)12-5-6-13-15(21-12)25-17(16(24)22-13)7-8-19-9-17/h1-6,19H,7-9H2,(H,20,23)(H,22,24)
InChIKeyAXZKVEMKWHNZCF-UHFFFAOYSA-N
XLogP1.54
TPSA92.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.33
LogP ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-(4-fluorophenyl)-2-oxospiro[1H-pyrido[2,3-b][1,4]oxazine-3,3'-pyrrolidine]-6-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 N-(4-fluorophenyl)-2-oxospiro[1H-pyrido[2,3-b][1,4]oxazine-3,3'-pyrrolidine]-6-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-2-oxospiro[1H-pyrido[2,3-b][1,4]oxazine-3,3'-pyrrolidine]-6-carboxamide (CID 137378686) is N-(4-fluorophenyl)-2-oxospiro[1H-pyrido[2,3-b][1,4]oxazine-3,3'-pyrrolidine]-6-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-oxospiro[1H-pyrido[2,3-b][1,4]oxazine-3,3'-pyrrolidine]-6-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-2-oxospiro[1H-pyrido[2,3-b][1,4]oxazine-3,3'-pyrrolidine]-6-carboxamide is O=C(Nc1ccc(F)cc1)c1ccc2c(n1)OC1(CCNC1)C(=O)N2.
What is the InChIKey of N-(4-fluorophenyl)-2-oxospiro[1H-pyrido[2,3-b][1,4]oxazine-3,3'-pyrrolidine]-6-carboxamide?
The InChIKey is AXZKVEMKWHNZCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN4O3/c18-10-1-3-11(4-2-10)20-14(23)12-5-6-13-15(21-12)25-17(16(24)22-13)7-8-19-9-17/h1-6,19H,7-9H2,(H,20,23)(H,22,24).
What are the key properties of N-(4-fluorophenyl)-2-oxospiro[1H-pyrido[2,3-b][1,4]oxazine-3,3'-pyrrolidine]-6-carboxamide?
N-(4-fluorophenyl)-2-oxospiro[1H-pyrido[2,3-b][1,4]oxazine-3,3'-pyrrolidine]-6-carboxamide has a molecular weight of 342.33 g/mol, XLogP of 1.54, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-oxospiro[1H-pyrido[2,3-b][1,4]oxazine-3,3'-pyrrolidine]-6-carboxamide is sourced from PubChem (CID 137378686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).