tert-butyl N-(3-ethyl-2-pyridinyl)carbamate

C12H18N2O2 — CID 11117638

IUPACtert-butyl N-(3-ethyl-2-pyridinyl)carbamate
SMILESCCc1cccnc1NC(=O)OC(C)(C)C
InChIInChI=1S/C12H18N2O2/c1-5-9-7-6-8-13-10(9)14-11(15)16-12(2,3)4/h6-8H,5H2,1-4H3,(H,13,14,15)
InChIKeyIQRKFAYMMZQJCK-UHFFFAOYSA-N
MW222.29 g/mol
LogP2.99
Rot. Bonds2

About tert-butyl N-(3-ethyl-2-pyridinyl)carbamate

tert-butyl N-(3-ethyl-2-pyridinyl)carbamate (PubChem CID 11117638) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is tert-butyl N-(3-ethyl-2-pyridinyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(3-ethyl-2-pyridinyl)carbamate
PubChem CID11117638
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Nametert-butyl N-(3-ethyl-2-pyridinyl)carbamate
SMILESCCc1cccnc1NC(=O)OC(C)(C)C
InChIInChI=1S/C12H18N2O2/c1-5-9-7-6-8-13-10(9)14-11(15)16-12(2,3)4/h6-8H,5H2,1-4H3,(H,13,14,15)
InChIKeyIQRKFAYMMZQJCK-UHFFFAOYSA-N
XLogP2.99
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(3-ethyl-2-pyridinyl)carbamate?
The IUPAC name of tert-butyl N-(3-ethyl-2-pyridinyl)carbamate (CID 11117638) is tert-butyl N-(3-ethyl-2-pyridinyl)carbamate.
What is the SMILES notation for tert-butyl N-(3-ethyl-2-pyridinyl)carbamate?
The canonical SMILES for tert-butyl N-(3-ethyl-2-pyridinyl)carbamate is CCc1cccnc1NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(3-ethyl-2-pyridinyl)carbamate?
The InChIKey is IQRKFAYMMZQJCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-5-9-7-6-8-13-10(9)14-11(15)16-12(2,3)4/h6-8H,5H2,1-4H3,(H,13,14,15).
What are the key properties of tert-butyl N-(3-ethyl-2-pyridinyl)carbamate?
tert-butyl N-(3-ethyl-2-pyridinyl)carbamate has a molecular weight of 222.29 g/mol, XLogP of 2.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(3-ethyl-2-pyridinyl)carbamate is sourced from PubChem (CID 11117638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).