tert-butyl N-[(6-methyl-2-pyridinyl)methoxy]carbamate

C12H18N2O3 — CID 59549516

IUPACtert-butyl N-[(6-methyl-2-pyridinyl)methoxy]carbamate
SMILESCc1cccc(CONC(=O)OC(C)(C)C)n1
InChIInChI=1S/C12H18N2O3/c1-9-6-5-7-10(13-9)8-16-14-11(15)17-12(2,3)4/h5-7H,8H2,1-4H3,(H,14,15)
InChIKeyIQLJLSIPUNDWAK-UHFFFAOYSA-N
MW238.29 g/mol
LogP2.35
Rot. Bonds3

About tert-butyl N-[(6-methyl-2-pyridinyl)methoxy]carbamate

tert-butyl N-[(6-methyl-2-pyridinyl)methoxy]carbamate (PubChem CID 59549516) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is tert-butyl N-[(6-methyl-2-pyridinyl)methoxy]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(6-methyl-2-pyridinyl)methoxy]carbamate
PubChem CID59549516
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Nametert-butyl N-[(6-methyl-2-pyridinyl)methoxy]carbamate
SMILESCc1cccc(CONC(=O)OC(C)(C)C)n1
InChIInChI=1S/C12H18N2O3/c1-9-6-5-7-10(13-9)8-16-14-11(15)17-12(2,3)4/h5-7H,8H2,1-4H3,(H,14,15)
InChIKeyIQLJLSIPUNDWAK-UHFFFAOYSA-N
XLogP2.35
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(6-methyl-2-pyridinyl)methoxy]carbamate?
The IUPAC name of tert-butyl N-[(6-methyl-2-pyridinyl)methoxy]carbamate (CID 59549516) is tert-butyl N-[(6-methyl-2-pyridinyl)methoxy]carbamate.
What is the SMILES notation for tert-butyl N-[(6-methyl-2-pyridinyl)methoxy]carbamate?
The canonical SMILES for tert-butyl N-[(6-methyl-2-pyridinyl)methoxy]carbamate is Cc1cccc(CONC(=O)OC(C)(C)C)n1.
What is the InChIKey of tert-butyl N-[(6-methyl-2-pyridinyl)methoxy]carbamate?
The InChIKey is IQLJLSIPUNDWAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-9-6-5-7-10(13-9)8-16-14-11(15)17-12(2,3)4/h5-7H,8H2,1-4H3,(H,14,15).
What are the key properties of tert-butyl N-[(6-methyl-2-pyridinyl)methoxy]carbamate?
tert-butyl N-[(6-methyl-2-pyridinyl)methoxy]carbamate has a molecular weight of 238.29 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(6-methyl-2-pyridinyl)methoxy]carbamate is sourced from PubChem (CID 59549516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).