pyridin-2-yl N-(azetidin-3-yl)carbamate

C9H11N3O2 — CID 175981988

IUPACpyridin-2-yl N-(azetidin-3-yl)carbamate
SMILESO=C(NC1CNC1)Oc1ccccn1
InChIInChI=1S/C9H11N3O2/c13-9(12-7-5-10-6-7)14-8-3-1-2-4-11-8/h1-4,7,10H,5-6H2,(H,12,13)
InChIKeyPTYDXPMRTYUFDA-UHFFFAOYSA-N
MW193.21 g/mol
LogP0.14
Rot. Bonds2

About pyridin-2-yl N-(azetidin-3-yl)carbamate

pyridin-2-yl N-(azetidin-3-yl)carbamate (PubChem CID 175981988) has the molecular formula C9H11N3O2 and a molecular weight of 193.21 g/mol. Its IUPAC name is pyridin-2-yl N-(azetidin-3-yl)carbamate.

Molecular Properties

Compound Namepyridin-2-yl N-(azetidin-3-yl)carbamate
PubChem CID175981988
Molecular FormulaC9H11N3O2
Molecular Weight193.21 g/mol
Exact Mass193.09
IUPAC Namepyridin-2-yl N-(azetidin-3-yl)carbamate
SMILESO=C(NC1CNC1)Oc1ccccn1
InChIInChI=1S/C9H11N3O2/c13-9(12-7-5-10-6-7)14-8-3-1-2-4-11-8/h1-4,7,10H,5-6H2,(H,12,13)
InChIKeyPTYDXPMRTYUFDA-UHFFFAOYSA-N
XLogP0.14
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(6-methylpyrimidin-4-yl) N-(azetidin-3-yl)carbamate
CID 83820404
pyridin-2-yl N-phenylcarbamate
CID 4689975
dipyridin-2-yl carbonate
CID 2757370
pyridin-2-yl cyclopropanecarboxylate
CID 135376948
pyridin-2-yl piperidine-4-carboxylate;hydrochloride
CID 174342486
phenyl N-(5-methylpiperidin-3-yl)carbamate
CID 75214530
pyridin-2-yl N-(2-methylphenyl)carbamate
CID 5062913
potassium;hydride;pyridin-2-yl cyclobutanecarboxylate
CID 175231447
dipyridin-2-yl bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate
CID 67291878
pyridin-2-yl N-(3-triethoxysilylpropyl)carbamate
CID 59228638
pyridin-2-yl 2,3-dihydro-1,4-benzodioxine-3-carboxylate
CID 2913239
tert-butyl N-piperidin-4-ylcarbamate;pyridin-2-amine
CID 174858928

Frequently Asked Questions

What is the IUPAC name of pyridin-2-yl N-(azetidin-3-yl)carbamate?
The IUPAC name of pyridin-2-yl N-(azetidin-3-yl)carbamate (CID 175981988) is pyridin-2-yl N-(azetidin-3-yl)carbamate.
What is the SMILES notation for pyridin-2-yl N-(azetidin-3-yl)carbamate?
The canonical SMILES for pyridin-2-yl N-(azetidin-3-yl)carbamate is O=C(NC1CNC1)Oc1ccccn1.
What is the InChIKey of pyridin-2-yl N-(azetidin-3-yl)carbamate?
The InChIKey is PTYDXPMRTYUFDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O2/c13-9(12-7-5-10-6-7)14-8-3-1-2-4-11-8/h1-4,7,10H,5-6H2,(H,12,13).
What are the key properties of pyridin-2-yl N-(azetidin-3-yl)carbamate?
pyridin-2-yl N-(azetidin-3-yl)carbamate has a molecular weight of 193.21 g/mol, XLogP of 0.14, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-2-yl N-(azetidin-3-yl)carbamate is sourced from PubChem (CID 175981988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).