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

C12H18N2O2 — CID 63788697

IUPACtert-butyl N-[(6-methyl-2-pyridinyl)methyl]carbamate
SMILESCc1cccc(CNC(=O)OC(C)(C)C)n1
InChIInChI=1S/C12H18N2O2/c1-9-6-5-7-10(14-9)8-13-11(15)16-12(2,3)4/h5-7H,8H2,1-4H3,(H,13,15)
InChIKeyCQGXEIANDGHUSA-UHFFFAOYSA-N
MW222.29 g/mol
LogP2.41
Rot. Bonds2

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

tert-butyl N-[(6-methyl-2-pyridinyl)methyl]carbamate (PubChem CID 63788697) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is tert-butyl N-[(6-methyl-2-pyridinyl)methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(6-methyl-2-pyridinyl)methyl]carbamate
PubChem CID63788697
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Nametert-butyl N-[(6-methyl-2-pyridinyl)methyl]carbamate
SMILESCc1cccc(CNC(=O)OC(C)(C)C)n1
InChIInChI=1S/C12H18N2O2/c1-9-6-5-7-10(14-9)8-13-11(15)16-12(2,3)4/h5-7H,8H2,1-4H3,(H,13,15)
InChIKeyCQGXEIANDGHUSA-UHFFFAOYSA-N
XLogP2.41
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 ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[[6-(chloromethyl)-2-pyridinyl]methyl]carbamate
CID 131092103
methyl 2-[6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2-pyridinyl]acetate
CID 90151076
tert-butyl N-[(6-carbamoyl-2-pyridinyl)methyl]carbamate
CID 68863111
tert-butyl N-[(6-prop-2-enyl-2-pyridinyl)methyl]carbamate
CID 86618645
tert-butyl N-[3-[(6-methyl-2-pyridinyl)methylamino]cyclobutyl]carbamate
CID 80560824
2-[(6-methyl-2-pyridinyl)methylamino]-2-oxoacetic acid
CID 62306859
tert-butyl N-[(2-methylsulfanylpyrimidin-4-yl)methyl]carbamate
CID 91759510
2,2-dimethyl-4-[(6-methyl-2-pyridinyl)methylamino]-4-oxobutanoic acid
CID 65300352
2-methoxy-N-[(6-methyl-2-pyridinyl)methyl]propanamide
CID 112686238
ethyl 2-[(6-methyl-2-pyridinyl)methylcarbamoylamino]acetate
CID 55057245
2-methyl-2-[methyl-[(6-methyl-2-pyridinyl)methylcarbamoyl]amino]propanoic acid
CID 55123424
tert-butyl N-[[6-[[(3S)-oxolan-3-yl]oxymethyl]-2-pyridinyl]methyl]carbamate
CID 140925195

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(6-methyl-2-pyridinyl)methyl]carbamate?
The IUPAC name of tert-butyl N-[(6-methyl-2-pyridinyl)methyl]carbamate (CID 63788697) is tert-butyl N-[(6-methyl-2-pyridinyl)methyl]carbamate.
What is the SMILES notation for tert-butyl N-[(6-methyl-2-pyridinyl)methyl]carbamate?
The canonical SMILES for tert-butyl N-[(6-methyl-2-pyridinyl)methyl]carbamate is Cc1cccc(CNC(=O)OC(C)(C)C)n1.
What is the InChIKey of tert-butyl N-[(6-methyl-2-pyridinyl)methyl]carbamate?
The InChIKey is CQGXEIANDGHUSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-9-6-5-7-10(14-9)8-13-11(15)16-12(2,3)4/h5-7H,8H2,1-4H3,(H,13,15).
What are the key properties of tert-butyl N-[(6-methyl-2-pyridinyl)methyl]carbamate?
tert-butyl N-[(6-methyl-2-pyridinyl)methyl]carbamate has a molecular weight of 222.29 g/mol, XLogP of 2.41, 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-methyl-2-pyridinyl)methyl]carbamate is sourced from PubChem (CID 63788697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).