tert-butyl 3-azido-3-(6-methoxy-3-pyridinyl)azetidine-1-carboxylate

C14H19N5O3 — CID 151999658

IUPACtert-butyl 3-azido-3-(6-methoxy-3-pyridinyl)azetidine-1-carboxylate
SMILESCOc1ccc(C2(N=[N+]=[N-])CN(C(=O)OC(C)(C)C)C2)cn1
InChIInChI=1S/C14H19N5O3/c1-13(2,3)22-12(20)19-8-14(9-19,17-18-15)10-5-6-11(21-4)16-7-10/h5-7H,8-9H2,1-4H3
InChIKeyUGKKGRXWWLDBFU-UHFFFAOYSA-N
MW305.34 g/mol
LogP2.85
Rot. Bonds3

About tert-butyl 3-azido-3-(6-methoxy-3-pyridinyl)azetidine-1-carboxylate

tert-butyl 3-azido-3-(6-methoxy-3-pyridinyl)azetidine-1-carboxylate (PubChem CID 151999658) has the molecular formula C14H19N5O3 and a molecular weight of 305.34 g/mol. Its IUPAC name is tert-butyl 3-azido-3-(6-methoxy-3-pyridinyl)azetidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-azido-3-(6-methoxy-3-pyridinyl)azetidine-1-carboxylate
PubChem CID151999658
Molecular FormulaC14H19N5O3
Molecular Weight305.34 g/mol
Exact Mass305.15
IUPAC Nametert-butyl 3-azido-3-(6-methoxy-3-pyridinyl)azetidine-1-carboxylate
SMILESCOc1ccc(C2(N=[N+]=[N-])CN(C(=O)OC(C)(C)C)C2)cn1
InChIInChI=1S/C14H19N5O3/c1-13(2,3)22-12(20)19-8-14(9-19,17-18-15)10-5-6-11(21-4)16-7-10/h5-7H,8-9H2,1-4H3
InChIKeyUGKKGRXWWLDBFU-UHFFFAOYSA-N
XLogP2.85
TPSA100.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 tert-butyl 3-azido-3-(6-methoxy-3-pyridinyl)azetidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-O-tert-butyl 7-O-(5-methoxy-2-pyridinyl) 2,7-diazaspiro[3.5]nonane-2,7-dicarboxylate
CID 90068547
tert-butyl 3-(6-methoxy-3-pyridinyl)piperidine-1-carboxylate
CID 163238292
tert-butyl 4-(6-methoxy-3-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 154620521
tert-butyl 3-(2-azidoethyl)-3-phenylazetidine-1-carboxylate
CID 163275627
tert-butyl 3-[[(6-methoxy-3-pyridinyl)amino]methyl]piperidine-1-carboxylate
CID 103759143
tert-butyl 4-hydroxy-4-[3-(6-methoxy-3-pyridinyl)-3-oxoprop-1-ynyl]piperidine-1-carboxylate
CID 145464421
tert-butyl 3-(6-methoxypyridine-3-carbonyl)piperidine-1-carboxylate
CID 164888365
tert-butyl (3S)-3-[(6-methoxy-3-pyridinyl)methyl]pyrrolidine-1-carboxylate;sulfane
CID 161346804
1-O-tert-butyl 4-O-[(6-methoxy-3-pyridinyl)methyl] 4-ethylpiperidine-1,4-dicarboxylate
CID 175395425
tert-butyl 2,5-difluoro-3-(6-methoxy-3-pyridinyl)-3-methylpiperidine-4-carboxylate
CID 175468401
tert-butyl (3aS,6aR)-3-(6-methoxy-3-pyridinyl)-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,2]oxazole-5-carboxylate
CID 68971835
tert-butyl 3-methoxy-3-methylazetidine-1-carboxylate
CID 58530249

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-azido-3-(6-methoxy-3-pyridinyl)azetidine-1-carboxylate?
The IUPAC name of tert-butyl 3-azido-3-(6-methoxy-3-pyridinyl)azetidine-1-carboxylate (CID 151999658) is tert-butyl 3-azido-3-(6-methoxy-3-pyridinyl)azetidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-azido-3-(6-methoxy-3-pyridinyl)azetidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-azido-3-(6-methoxy-3-pyridinyl)azetidine-1-carboxylate is COc1ccc(C2(N=[N+]=[N-])CN(C(=O)OC(C)(C)C)C2)cn1.
What is the InChIKey of tert-butyl 3-azido-3-(6-methoxy-3-pyridinyl)azetidine-1-carboxylate?
The InChIKey is UGKKGRXWWLDBFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O3/c1-13(2,3)22-12(20)19-8-14(9-19,17-18-15)10-5-6-11(21-4)16-7-10/h5-7H,8-9H2,1-4H3.
What are the key properties of tert-butyl 3-azido-3-(6-methoxy-3-pyridinyl)azetidine-1-carboxylate?
tert-butyl 3-azido-3-(6-methoxy-3-pyridinyl)azetidine-1-carboxylate has a molecular weight of 305.34 g/mol, XLogP of 2.85, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-azido-3-(6-methoxy-3-pyridinyl)azetidine-1-carboxylate is sourced from PubChem (CID 151999658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).