4-[4-[(1R,2S)-2-azido-3-fluoro-1-methoxypropyl]phenyl]-1-methyl-3,6-dihydro-2H-pyridine

C16H21FN4O — CID 71049797

IUPAC4-[4-[(1R,2S)-2-azido-3-fluoro-1-methoxypropyl]phenyl]-1-methyl-3,6-dihydro-2H-pyridine
SMILESCO[C@H](c1ccc(C2=CCN(C)CC2)cc1)[C@@H](CF)N=[N+]=[N-]
InChIInChI=1S/C16H21FN4O/c1-21-9-7-13(8-10-21)12-3-5-14(6-4-12)16(22-2)15(11-17)19-20-18/h3-7,15-16H,8-11H2,1-2H3/t15-,16-/m1/s1
InChIKeyNNBWYUDBICAMPP-HZPDHXFCSA-N
MW304.37 g/mol
LogP3.74
Rot. Bonds6

About 4-[4-[(1R,2S)-2-azido-3-fluoro-1-methoxypropyl]phenyl]-1-methyl-3,6-dihydro-2H-pyridine

4-[4-[(1R,2S)-2-azido-3-fluoro-1-methoxypropyl]phenyl]-1-methyl-3,6-dihydro-2H-pyridine (PubChem CID 71049797) has the molecular formula C16H21FN4O and a molecular weight of 304.37 g/mol. Its IUPAC name is 4-[4-[(1R,2S)-2-azido-3-fluoro-1-methoxypropyl]phenyl]-1-methyl-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name4-[4-[(1R,2S)-2-azido-3-fluoro-1-methoxypropyl]phenyl]-1-methyl-3,6-dihydro-2H-pyridine
PubChem CID71049797
Molecular FormulaC16H21FN4O
Molecular Weight304.37 g/mol
Exact Mass304.17
IUPAC Name4-[4-[(1R,2S)-2-azido-3-fluoro-1-methoxypropyl]phenyl]-1-methyl-3,6-dihydro-2H-pyridine
SMILESCO[C@H](c1ccc(C2=CCN(C)CC2)cc1)[C@@H](CF)N=[N+]=[N-]
InChIInChI=1S/C16H21FN4O/c1-21-9-7-13(8-10-21)12-3-5-14(6-4-12)16(22-2)15(11-17)19-20-18/h3-7,15-16H,8-11H2,1-2H3/t15-,16-/m1/s1
InChIKeyNNBWYUDBICAMPP-HZPDHXFCSA-N
XLogP3.74
TPSA61.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 4-[4-[(1R,2S)-2-azido-3-fluoro-1-methoxypropyl]phenyl]-1-methyl-3,6-dihydro-2H-pyridine 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-[4-[(1R,2S)-2-azido-3-fluoro-1-methoxypropyl]phenyl]-1-methyl-3,6-dihydro-2H-pyridine?
The IUPAC name of 4-[4-[(1R,2S)-2-azido-3-fluoro-1-methoxypropyl]phenyl]-1-methyl-3,6-dihydro-2H-pyridine (CID 71049797) is 4-[4-[(1R,2S)-2-azido-3-fluoro-1-methoxypropyl]phenyl]-1-methyl-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 4-[4-[(1R,2S)-2-azido-3-fluoro-1-methoxypropyl]phenyl]-1-methyl-3,6-dihydro-2H-pyridine?
The canonical SMILES for 4-[4-[(1R,2S)-2-azido-3-fluoro-1-methoxypropyl]phenyl]-1-methyl-3,6-dihydro-2H-pyridine is CO[C@H](c1ccc(C2=CCN(C)CC2)cc1)[C@@H](CF)N=[N+]=[N-].
What is the InChIKey of 4-[4-[(1R,2S)-2-azido-3-fluoro-1-methoxypropyl]phenyl]-1-methyl-3,6-dihydro-2H-pyridine?
The InChIKey is NNBWYUDBICAMPP-HZPDHXFCSA-N. The full InChI is InChI=1S/C16H21FN4O/c1-21-9-7-13(8-10-21)12-3-5-14(6-4-12)16(22-2)15(11-17)19-20-18/h3-7,15-16H,8-11H2,1-2H3/t15-,16-/m1/s1.
What are the key properties of 4-[4-[(1R,2S)-2-azido-3-fluoro-1-methoxypropyl]phenyl]-1-methyl-3,6-dihydro-2H-pyridine?
4-[4-[(1R,2S)-2-azido-3-fluoro-1-methoxypropyl]phenyl]-1-methyl-3,6-dihydro-2H-pyridine has a molecular weight of 304.37 g/mol, XLogP of 3.74, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(1R,2S)-2-azido-3-fluoro-1-methoxypropyl]phenyl]-1-methyl-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 71049797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).