benzyl N-[1-(5-methyl-2-pyridinyl)azetidin-3-yl]carbamate

C17H19N3O2 — CID 139373881

IUPACbenzyl N-[1-(5-methyl-2-pyridinyl)azetidin-3-yl]carbamate
SMILESCc1ccc(N2CC(NC(=O)OCc3ccccc3)C2)nc1
InChIInChI=1S/C17H19N3O2/c1-13-7-8-16(18-9-13)20-10-15(11-20)19-17(21)22-12-14-5-3-2-4-6-14/h2-9,15H,10-12H2,1H3,(H,19,21)
InChIKeyXVIDXCJTKOAJGX-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.51
Rot. Bonds4

About benzyl N-[1-(5-methyl-2-pyridinyl)azetidin-3-yl]carbamate

benzyl N-[1-(5-methyl-2-pyridinyl)azetidin-3-yl]carbamate (PubChem CID 139373881) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is benzyl N-[1-(5-methyl-2-pyridinyl)azetidin-3-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[1-(5-methyl-2-pyridinyl)azetidin-3-yl]carbamate
PubChem CID139373881
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Namebenzyl N-[1-(5-methyl-2-pyridinyl)azetidin-3-yl]carbamate
SMILESCc1ccc(N2CC(NC(=O)OCc3ccccc3)C2)nc1
InChIInChI=1S/C17H19N3O2/c1-13-7-8-16(18-9-13)20-10-15(11-20)19-17(21)22-12-14-5-3-2-4-6-14/h2-9,15H,10-12H2,1H3,(H,19,21)
InChIKeyXVIDXCJTKOAJGX-UHFFFAOYSA-N
XLogP2.51
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze benzyl N-[1-(5-methyl-2-pyridinyl)azetidin-3-yl]carbamate 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

benzyl N-(1-acetylazetidin-3-yl)carbamate
CID 118370546
benzyl N-[3,5-bis(phenylmethoxycarbonylamino)cyclohexyl]carbamate
CID 102080822
benzyl N-cyclobutylcarbamate;carbonic acid
CID 66730699
benzyl N-[2-[[1-(4-methylphenyl)piperidin-3-yl]amino]cyclohexyl]carbamate
CID 123991953
tert-butyl N-[(3R)-1-(5-methyl-2-pyridinyl)pyrrolidin-3-yl]carbamate
CID 71634685
tert-butyl N-[(3S)-1-(5-methyl-2-pyridinyl)pyrrolidin-3-yl]carbamate
CID 71634683
benzyl N-cyclopent-3-en-1-ylcarbamate
CID 10751243
benzyl N-(1-cyclopropylsulfonylazetidin-3-yl)carbamate
CID 146024173
benzyl N-[1-[5-[2,6-bis(phenylmethoxy)-3-pyridinyl]-2-pyridinyl]piperidin-4-yl]carbamate
CID 171108525
benzyl N-[3-[(6-methyl-3-pyridinyl)amino]cyclobutyl]carbamate
CID 103393638
(2S,4S)-4-(phenylmethoxycarbonylamino)oxolane-2-carboxylic acid
CID 166000781
benzyl N-(1-methylpiperidin-4-yl)carbamate;hydrochloride
CID 141061173

Frequently Asked Questions

What is the IUPAC name of benzyl N-[1-(5-methyl-2-pyridinyl)azetidin-3-yl]carbamate?
The IUPAC name of benzyl N-[1-(5-methyl-2-pyridinyl)azetidin-3-yl]carbamate (CID 139373881) is benzyl N-[1-(5-methyl-2-pyridinyl)azetidin-3-yl]carbamate.
What is the SMILES notation for benzyl N-[1-(5-methyl-2-pyridinyl)azetidin-3-yl]carbamate?
The canonical SMILES for benzyl N-[1-(5-methyl-2-pyridinyl)azetidin-3-yl]carbamate is Cc1ccc(N2CC(NC(=O)OCc3ccccc3)C2)nc1.
What is the InChIKey of benzyl N-[1-(5-methyl-2-pyridinyl)azetidin-3-yl]carbamate?
The InChIKey is XVIDXCJTKOAJGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-13-7-8-16(18-9-13)20-10-15(11-20)19-17(21)22-12-14-5-3-2-4-6-14/h2-9,15H,10-12H2,1H3,(H,19,21).
What are the key properties of benzyl N-[1-(5-methyl-2-pyridinyl)azetidin-3-yl]carbamate?
benzyl N-[1-(5-methyl-2-pyridinyl)azetidin-3-yl]carbamate has a molecular weight of 297.36 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[1-(5-methyl-2-pyridinyl)azetidin-3-yl]carbamate is sourced from PubChem (CID 139373881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).