(2S,3S,4S,5R)-6-azido-N-(4-fluorophenyl)-3,4,5-trihydroxy-N-methyloxane-2-carboxamide

C13H15FN4O5 — CID 11151530

IUPAC(2S,3S,4S,5R)-6-azido-N-(4-fluorophenyl)-3,4,5-trihydroxy-N-methyloxane-2-carboxamide
SMILESCN(C(=O)[C@H]1OC(N=[N+]=[N-])[C@H](O)[C@@H](O)[C@@H]1O)c1ccc(F)cc1
InChIInChI=1S/C13H15FN4O5/c1-18(7-4-2-6(14)3-5-7)13(22)11-9(20)8(19)10(21)12(23-11)16-17-15/h2-5,8-12,19-21H,1H3/t8-,9-,10+,11-,12?/m0/s1
InChIKeyAYFLJNQQSKXGJB-IHDQXYMRSA-N
MW326.28 g/mol
LogP-0.09
Rot. Bonds3

About (2S,3S,4S,5R)-6-azido-N-(4-fluorophenyl)-3,4,5-trihydroxy-N-methyloxane-2-carboxamide

(2S,3S,4S,5R)-6-azido-N-(4-fluorophenyl)-3,4,5-trihydroxy-N-methyloxane-2-carboxamide (PubChem CID 11151530) has the molecular formula C13H15FN4O5 and a molecular weight of 326.28 g/mol. Its IUPAC name is (2S,3S,4S,5R)-6-azido-N-(4-fluorophenyl)-3,4,5-trihydroxy-N-methyloxane-2-carboxamide.

Molecular Properties

Compound Name(2S,3S,4S,5R)-6-azido-N-(4-fluorophenyl)-3,4,5-trihydroxy-N-methyloxane-2-carboxamide
PubChem CID11151530
Molecular FormulaC13H15FN4O5
Molecular Weight326.28 g/mol
Exact Mass326.10
IUPAC Name(2S,3S,4S,5R)-6-azido-N-(4-fluorophenyl)-3,4,5-trihydroxy-N-methyloxane-2-carboxamide
SMILESCN(C(=O)[C@H]1OC(N=[N+]=[N-])[C@H](O)[C@@H](O)[C@@H]1O)c1ccc(F)cc1
InChIInChI=1S/C13H15FN4O5/c1-18(7-4-2-6(14)3-5-7)13(22)11-9(20)8(19)10(21)12(23-11)16-17-15/h2-5,8-12,19-21H,1H3/t8-,9-,10+,11-,12?/m0/s1
InChIKeyAYFLJNQQSKXGJB-IHDQXYMRSA-N
XLogP-0.09
TPSA138.99 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.28
LogP ≤ 5-0.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze (2S,3S,4S,5R)-6-azido-N-(4-fluorophenyl)-3,4,5-trihydroxy-N-methyloxane-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 (2S,3S,4S,5R)-6-azido-N-(4-fluorophenyl)-3,4,5-trihydroxy-N-methyloxane-2-carboxamide?
The IUPAC name of (2S,3S,4S,5R)-6-azido-N-(4-fluorophenyl)-3,4,5-trihydroxy-N-methyloxane-2-carboxamide (CID 11151530) is (2S,3S,4S,5R)-6-azido-N-(4-fluorophenyl)-3,4,5-trihydroxy-N-methyloxane-2-carboxamide.
What is the SMILES notation for (2S,3S,4S,5R)-6-azido-N-(4-fluorophenyl)-3,4,5-trihydroxy-N-methyloxane-2-carboxamide?
The canonical SMILES for (2S,3S,4S,5R)-6-azido-N-(4-fluorophenyl)-3,4,5-trihydroxy-N-methyloxane-2-carboxamide is CN(C(=O)[C@H]1OC(N=[N+]=[N-])[C@H](O)[C@@H](O)[C@@H]1O)c1ccc(F)cc1.
What is the InChIKey of (2S,3S,4S,5R)-6-azido-N-(4-fluorophenyl)-3,4,5-trihydroxy-N-methyloxane-2-carboxamide?
The InChIKey is AYFLJNQQSKXGJB-IHDQXYMRSA-N. The full InChI is InChI=1S/C13H15FN4O5/c1-18(7-4-2-6(14)3-5-7)13(22)11-9(20)8(19)10(21)12(23-11)16-17-15/h2-5,8-12,19-21H,1H3/t8-,9-,10+,11-,12?/m0/s1.
What are the key properties of (2S,3S,4S,5R)-6-azido-N-(4-fluorophenyl)-3,4,5-trihydroxy-N-methyloxane-2-carboxamide?
(2S,3S,4S,5R)-6-azido-N-(4-fluorophenyl)-3,4,5-trihydroxy-N-methyloxane-2-carboxamide has a molecular weight of 326.28 g/mol, XLogP of -0.09, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4S,5R)-6-azido-N-(4-fluorophenyl)-3,4,5-trihydroxy-N-methyloxane-2-carboxamide is sourced from PubChem (CID 11151530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).