tert-butyl N-[(6-amino-3-pyridinyl)methyl]-N-methylcarbamate

C12H19N3O2 — CID 164526047

IUPACtert-butyl N-[(6-amino-3-pyridinyl)methyl]-N-methylcarbamate
SMILESCN(Cc1ccc(N)nc1)C(=O)OC(C)(C)C
InChIInChI=1S/C12H19N3O2/c1-12(2,3)17-11(16)15(4)8-9-5-6-10(13)14-7-9/h5-7H,8H2,1-4H3,(H2,13,14)
InChIKeyCLQVUEZRAXDHNR-UHFFFAOYSA-N
MW237.30 g/mol
LogP2.03
Rot. Bonds2

About tert-butyl N-[(6-amino-3-pyridinyl)methyl]-N-methylcarbamate

tert-butyl N-[(6-amino-3-pyridinyl)methyl]-N-methylcarbamate (PubChem CID 164526047) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is tert-butyl N-[(6-amino-3-pyridinyl)methyl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[(6-amino-3-pyridinyl)methyl]-N-methylcarbamate
PubChem CID164526047
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Nametert-butyl N-[(6-amino-3-pyridinyl)methyl]-N-methylcarbamate
SMILESCN(Cc1ccc(N)nc1)C(=O)OC(C)(C)C
InChIInChI=1S/C12H19N3O2/c1-12(2,3)17-11(16)15(4)8-9-5-6-10(13)14-7-9/h5-7H,8H2,1-4H3,(H2,13,14)
InChIKeyCLQVUEZRAXDHNR-UHFFFAOYSA-N
XLogP2.03
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[(6-amino-3-pyridinyl)methyl]-N-[(3-fluoro-1-bicyclo[1.1.1]pentanyl)methyl]carbamate
CID 176815797
4-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]benzoic acid
CID 22450242
tert-butyl N-[2-(6-amino-3-pyridinyl)ethyl]carbamate
CID 86238106
tert-butyl N-[(5-fluoro-2-pyridinyl)methyl]-N-methylcarbamate
CID 133059742
methyl 2-amino-5-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]benzoate
CID 58018330
N-[(6-amino-3-pyridinyl)methyl]-2-(4-cyclopropylsulfanylphenyl)-N-methylacetamide
CID 166280885
tert-butyl N-[2-(4-aminophenyl)ethyl]-N-methylcarbamate
CID 10083475
methyl 3-methyl-2-[4-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]phenyl]butanoate
CID 177063985
tert-butyl N-amino-N-[(4-hydroxyphenyl)methyl]carbamate
CID 151301292
tert-butyl N-[(3-amino-2-hydroxyphenyl)methyl]-N-methylcarbamate
CID 169243691
2-bromo-4-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]benzoic acid
CID 59404716
chloro-[4-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]phenoxy]-sulfanylidenephosphanium
CID 171418956

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(6-amino-3-pyridinyl)methyl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[(6-amino-3-pyridinyl)methyl]-N-methylcarbamate (CID 164526047) is tert-butyl N-[(6-amino-3-pyridinyl)methyl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[(6-amino-3-pyridinyl)methyl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[(6-amino-3-pyridinyl)methyl]-N-methylcarbamate is CN(Cc1ccc(N)nc1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(6-amino-3-pyridinyl)methyl]-N-methylcarbamate?
The InChIKey is CLQVUEZRAXDHNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-12(2,3)17-11(16)15(4)8-9-5-6-10(13)14-7-9/h5-7H,8H2,1-4H3,(H2,13,14).
What are the key properties of tert-butyl N-[(6-amino-3-pyridinyl)methyl]-N-methylcarbamate?
tert-butyl N-[(6-amino-3-pyridinyl)methyl]-N-methylcarbamate has a molecular weight of 237.30 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(6-amino-3-pyridinyl)methyl]-N-methylcarbamate is sourced from PubChem (CID 164526047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).