N-[(1S,5S,6R,7S)-6-[(3-fluoro-4-pyridinyl)amino]-2-oxabicyclo[3.2.0]heptan-7-yl]acetamide

C13H16FN3O2 — CID 133260494

IUPACN-[(1S,5S,6R,7S)-6-[(3-fluoro-4-pyridinyl)amino]-2-oxabicyclo[3.2.0]heptan-7-yl]acetamide
SMILESCC(=O)N[C@H]1[C@H](Nc2ccncc2F)[C@@H]2CCO[C@@H]21
InChIInChI=1S/C13H16FN3O2/c1-7(18)16-12-11(8-3-5-19-13(8)12)17-10-2-4-15-6-9(10)14/h2,4,6,8,11-13H,3,5H2,1H3,(H,15,17)(H,16,18)/t8-,11+,12-,13-/m0/s1
InChIKeyMQHNDWWGUOLNHT-MHNYQROPSA-N
MW265.29 g/mol
LogP0.92
Rot. Bonds3

About N-[(1S,5S,6R,7S)-6-[(3-fluoro-4-pyridinyl)amino]-2-oxabicyclo[3.2.0]heptan-7-yl]acetamide

N-[(1S,5S,6R,7S)-6-[(3-fluoro-4-pyridinyl)amino]-2-oxabicyclo[3.2.0]heptan-7-yl]acetamide (PubChem CID 133260494) has the molecular formula C13H16FN3O2 and a molecular weight of 265.29 g/mol. Its IUPAC name is N-[(1S,5S,6R,7S)-6-[(3-fluoro-4-pyridinyl)amino]-2-oxabicyclo[3.2.0]heptan-7-yl]acetamide.

Molecular Properties

Compound NameN-[(1S,5S,6R,7S)-6-[(3-fluoro-4-pyridinyl)amino]-2-oxabicyclo[3.2.0]heptan-7-yl]acetamide
PubChem CID133260494
Molecular FormulaC13H16FN3O2
Molecular Weight265.29 g/mol
Exact Mass265.12
IUPAC NameN-[(1S,5S,6R,7S)-6-[(3-fluoro-4-pyridinyl)amino]-2-oxabicyclo[3.2.0]heptan-7-yl]acetamide
SMILESCC(=O)N[C@H]1[C@H](Nc2ccncc2F)[C@@H]2CCO[C@@H]21
InChIInChI=1S/C13H16FN3O2/c1-7(18)16-12-11(8-3-5-19-13(8)12)17-10-2-4-15-6-9(10)14/h2,4,6,8,11-13H,3,5H2,1H3,(H,15,17)(H,16,18)/t8-,11+,12-,13-/m0/s1
InChIKeyMQHNDWWGUOLNHT-MHNYQROPSA-N
XLogP0.92
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.29
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(1S,5S,6R,7S)-6-[(3-fluoro-4-pyridinyl)amino]-2-oxabicyclo[3.2.0]heptan-7-yl]acetamide 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-[(1S,5S,6R,7S)-6-[(3-fluoro-4-pyridinyl)amino]-2-oxabicyclo[3.2.0]heptan-7-yl]acetamide?
The IUPAC name of N-[(1S,5S,6R,7S)-6-[(3-fluoro-4-pyridinyl)amino]-2-oxabicyclo[3.2.0]heptan-7-yl]acetamide (CID 133260494) is N-[(1S,5S,6R,7S)-6-[(3-fluoro-4-pyridinyl)amino]-2-oxabicyclo[3.2.0]heptan-7-yl]acetamide.
What is the SMILES notation for N-[(1S,5S,6R,7S)-6-[(3-fluoro-4-pyridinyl)amino]-2-oxabicyclo[3.2.0]heptan-7-yl]acetamide?
The canonical SMILES for N-[(1S,5S,6R,7S)-6-[(3-fluoro-4-pyridinyl)amino]-2-oxabicyclo[3.2.0]heptan-7-yl]acetamide is CC(=O)N[C@H]1[C@H](Nc2ccncc2F)[C@@H]2CCO[C@@H]21.
What is the InChIKey of N-[(1S,5S,6R,7S)-6-[(3-fluoro-4-pyridinyl)amino]-2-oxabicyclo[3.2.0]heptan-7-yl]acetamide?
The InChIKey is MQHNDWWGUOLNHT-MHNYQROPSA-N. The full InChI is InChI=1S/C13H16FN3O2/c1-7(18)16-12-11(8-3-5-19-13(8)12)17-10-2-4-15-6-9(10)14/h2,4,6,8,11-13H,3,5H2,1H3,(H,15,17)(H,16,18)/t8-,11+,12-,13-/m0/s1.
What are the key properties of N-[(1S,5S,6R,7S)-6-[(3-fluoro-4-pyridinyl)amino]-2-oxabicyclo[3.2.0]heptan-7-yl]acetamide?
N-[(1S,5S,6R,7S)-6-[(3-fluoro-4-pyridinyl)amino]-2-oxabicyclo[3.2.0]heptan-7-yl]acetamide has a molecular weight of 265.29 g/mol, XLogP of 0.92, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,5S,6R,7S)-6-[(3-fluoro-4-pyridinyl)amino]-2-oxabicyclo[3.2.0]heptan-7-yl]acetamide is sourced from PubChem (CID 133260494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).