tert-butyl N-(6-cyclopropyl-3-pyridinyl)carbamate

C13H18N2O2 — CID 130731444

IUPACtert-butyl N-(6-cyclopropyl-3-pyridinyl)carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(C2CC2)nc1
InChIInChI=1S/C13H18N2O2/c1-13(2,3)17-12(16)15-10-6-7-11(14-8-10)9-4-5-9/h6-9H,4-5H2,1-3H3,(H,15,16)
InChIKeyANEKIIIRFAIVGH-UHFFFAOYSA-N
MW234.30 g/mol
LogP3.31
Rot. Bonds2

About tert-butyl N-(6-cyclopropyl-3-pyridinyl)carbamate

tert-butyl N-(6-cyclopropyl-3-pyridinyl)carbamate (PubChem CID 130731444) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is tert-butyl N-(6-cyclopropyl-3-pyridinyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(6-cyclopropyl-3-pyridinyl)carbamate
PubChem CID130731444
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Nametert-butyl N-(6-cyclopropyl-3-pyridinyl)carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(C2CC2)nc1
InChIInChI=1S/C13H18N2O2/c1-13(2,3)17-12(16)15-10-6-7-11(14-8-10)9-4-5-9/h6-9H,4-5H2,1-3H3,(H,15,16)
InChIKeyANEKIIIRFAIVGH-UHFFFAOYSA-N
XLogP3.31
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[6-(cycloheptylamino)-3-pyridinyl]carbamate
CID 113014947
tert-butyl 4-[5-(methylamino)-2-pyridinyl]piperidine-1-carboxylate
CID 167190668
tert-butyl N-[6-(methoxymethyl)-3-pyridinyl]carbamate
CID 174674918
tert-butyl N-[6-(azepan-1-yl)-3-pyridinyl]carbamate
CID 113015925
tert-butyl N-[6-(2-cyanopropan-2-yl)-3-pyridinyl]carbamate
CID 130338485
tert-butyl N-(3-cyclopropyl-4-fluorophenyl)carbamate
CID 130848962
tert-butyl (2S)-2-amino-2-[5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]acetate
CID 97357103
tert-butyl N-[6-(4-chloroanilino)-3-pyridinyl]carbamate
CID 113018638
methyl 4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]cyclohexane-1-carboxylate
CID 177318406
tert-butyl N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]carbamate
CID 65142733
tert-butyl N-[6-(3-hydroxy-3-methylazetidin-1-yl)-3-pyridinyl]carbamate
CID 167726379
tert-butyl N-[6-[4-(4-methylpiperidin-1-yl)anilino]-3-pyridinyl]carbamate
CID 113021092

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(6-cyclopropyl-3-pyridinyl)carbamate?
The IUPAC name of tert-butyl N-(6-cyclopropyl-3-pyridinyl)carbamate (CID 130731444) is tert-butyl N-(6-cyclopropyl-3-pyridinyl)carbamate.
What is the SMILES notation for tert-butyl N-(6-cyclopropyl-3-pyridinyl)carbamate?
The canonical SMILES for tert-butyl N-(6-cyclopropyl-3-pyridinyl)carbamate is CC(C)(C)OC(=O)Nc1ccc(C2CC2)nc1.
What is the InChIKey of tert-butyl N-(6-cyclopropyl-3-pyridinyl)carbamate?
The InChIKey is ANEKIIIRFAIVGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-13(2,3)17-12(16)15-10-6-7-11(14-8-10)9-4-5-9/h6-9H,4-5H2,1-3H3,(H,15,16).
What are the key properties of tert-butyl N-(6-cyclopropyl-3-pyridinyl)carbamate?
tert-butyl N-(6-cyclopropyl-3-pyridinyl)carbamate has a molecular weight of 234.30 g/mol, XLogP of 3.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(6-cyclopropyl-3-pyridinyl)carbamate is sourced from PubChem (CID 130731444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).