tert-butyl 3-[(4-bromo-3-pyridinyl)carbamoyl]azetidine-1-carboxylate

C14H18BrN3O3 — CID 126508278

IUPACtert-butyl 3-[(4-bromo-3-pyridinyl)carbamoyl]azetidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(C(=O)Nc2cnccc2Br)C1
InChIInChI=1S/C14H18BrN3O3/c1-14(2,3)21-13(20)18-7-9(8-18)12(19)17-11-6-16-5-4-10(11)15/h4-6,9H,7-8H2,1-3H3,(H,17,19)
InChIKeyQUFUURRTCFDBQY-UHFFFAOYSA-N
MW356.22 g/mol
LogP2.65
Rot. Bonds2

About tert-butyl 3-[(4-bromo-3-pyridinyl)carbamoyl]azetidine-1-carboxylate

tert-butyl 3-[(4-bromo-3-pyridinyl)carbamoyl]azetidine-1-carboxylate (PubChem CID 126508278) has the molecular formula C14H18BrN3O3 and a molecular weight of 356.22 g/mol. Its IUPAC name is tert-butyl 3-[(4-bromo-3-pyridinyl)carbamoyl]azetidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[(4-bromo-3-pyridinyl)carbamoyl]azetidine-1-carboxylate
PubChem CID126508278
Molecular FormulaC14H18BrN3O3
Molecular Weight356.22 g/mol
Exact Mass355.05
IUPAC Nametert-butyl 3-[(4-bromo-3-pyridinyl)carbamoyl]azetidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(C(=O)Nc2cnccc2Br)C1
InChIInChI=1S/C14H18BrN3O3/c1-14(2,3)21-13(20)18-7-9(8-18)12(19)17-11-6-16-5-4-10(11)15/h4-6,9H,7-8H2,1-3H3,(H,17,19)
InChIKeyQUFUURRTCFDBQY-UHFFFAOYSA-N
XLogP2.65
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.22
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl 3-[(4-bromo-3-pyridinyl)carbamoyl]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

tert-butyl 3-[[3-(3-methoxypropylamino)-4-pyridinyl]carbamoyl]piperidine-1-carboxylate
CID 66785648
tert-butyl 4-[(2-bromo-5-methylphenyl)carbamoyl]piperidine-1-carboxylate
CID 166607251
tert-butyl 3-[(2-bromo-6-methyl-3-pyridinyl)carbamoyl]pyrrolidine-1-carboxylate
CID 163387197
tert-butyl 3-[(2-bromo-4-methylphenyl)carbamoyl]piperidine-1-carboxylate
CID 84554272
tert-butyl (3R,4R)-3-(isoquinolin-5-ylcarbamoyl)-4-phenylpyrrolidine-1-carboxylate
CID 162470981
tert-butyl 3-[(4-bromo-3-methylphenyl)carbamoyl]piperidine-1-carboxylate
CID 84554271
tert-butyl (2S)-2-[(4-methoxy-3-pyridinyl)carbamoyl]piperidine-1-carboxylate
CID 75467196
tert-butyl (3R)-3-(quinolin-4-ylcarbamoyl)pyrrolidine-1-carboxylate
CID 164884595
tert-butyl 3-[(4-methyl-3-pyridinyl)amino]piperidine-1-carboxylate
CID 63329515
tert-butyl 3-[1-[(4-chloro-3-pyridinyl)amino]ethyl]piperidine-1-carboxylate
CID 103910160
tert-butyl (3R)-3-[(4-methyl-2-pyridinyl)carbamoyl]piperidine-1-carboxylate
CID 41083455
tert-butyl 3-[[(1S)-1-pyridin-4-ylethyl]amino]azetidine-1-carboxylate
CID 81405804

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[(4-bromo-3-pyridinyl)carbamoyl]azetidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[(4-bromo-3-pyridinyl)carbamoyl]azetidine-1-carboxylate (CID 126508278) is tert-butyl 3-[(4-bromo-3-pyridinyl)carbamoyl]azetidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[(4-bromo-3-pyridinyl)carbamoyl]azetidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[(4-bromo-3-pyridinyl)carbamoyl]azetidine-1-carboxylate is CC(C)(C)OC(=O)N1CC(C(=O)Nc2cnccc2Br)C1.
What is the InChIKey of tert-butyl 3-[(4-bromo-3-pyridinyl)carbamoyl]azetidine-1-carboxylate?
The InChIKey is QUFUURRTCFDBQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN3O3/c1-14(2,3)21-13(20)18-7-9(8-18)12(19)17-11-6-16-5-4-10(11)15/h4-6,9H,7-8H2,1-3H3,(H,17,19).
What are the key properties of tert-butyl 3-[(4-bromo-3-pyridinyl)carbamoyl]azetidine-1-carboxylate?
tert-butyl 3-[(4-bromo-3-pyridinyl)carbamoyl]azetidine-1-carboxylate has a molecular weight of 356.22 g/mol, XLogP of 2.65, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[(4-bromo-3-pyridinyl)carbamoyl]azetidine-1-carboxylate is sourced from PubChem (CID 126508278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).