tert-butyl N-(6-amino-3-methoxy-2-pyridinyl)-N-methylcarbamate

C12H19N3O3 — CID 90054827

IUPACtert-butyl N-(6-amino-3-methoxy-2-pyridinyl)-N-methylcarbamate
SMILESCOc1ccc(N)nc1N(C)C(=O)OC(C)(C)C
InChIInChI=1S/C12H19N3O3/c1-12(2,3)18-11(16)15(4)10-8(17-5)6-7-9(13)14-10/h6-7H,1-5H3,(H2,13,14)
InChIKeyQNISBWMUFYDCKC-UHFFFAOYSA-N
MW253.30 g/mol
LogP2.04
Rot. Bonds2

About tert-butyl N-(6-amino-3-methoxy-2-pyridinyl)-N-methylcarbamate

tert-butyl N-(6-amino-3-methoxy-2-pyridinyl)-N-methylcarbamate (PubChem CID 90054827) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is tert-butyl N-(6-amino-3-methoxy-2-pyridinyl)-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-(6-amino-3-methoxy-2-pyridinyl)-N-methylcarbamate
PubChem CID90054827
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Nametert-butyl N-(6-amino-3-methoxy-2-pyridinyl)-N-methylcarbamate
SMILESCOc1ccc(N)nc1N(C)C(=O)OC(C)(C)C
InChIInChI=1S/C12H19N3O3/c1-12(2,3)18-11(16)15(4)10-8(17-5)6-7-9(13)14-10/h6-7H,1-5H3,(H2,13,14)
InChIKeyQNISBWMUFYDCKC-UHFFFAOYSA-N
XLogP2.04
TPSA77.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-(1-amino-7-methoxyisoquinolin-6-yl)-N-methylcarbamate
CID 121366465
tert-butyl N-(3-methoxy-6-propanoyl-2-pyridinyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 59376527
tert-butyl N-[(2-methoxynaphthalen-1-yl)amino]-N-methylcarbamate
CID 175556090
tert-butyl N-(6-amino-1,2-benzoxazol-3-yl)-N-methylcarbamate
CID 155113166
tert-butyl N-(6-dimethylphosphoryl-3-hydroxy-2-pyridinyl)-N-methylcarbamate
CID 178148163
6-bromo-5-chloropyridin-2-amine;tert-butyl N-(6-bromo-5-chloro-2-pyridinyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 161472878
tert-butyl N-[3-(bromomethyl)-2-pyridinyl]-N-methylcarbamate
CID 141274850
tert-butyl N-(4-isocyano-3,5-dimethoxyphenyl)-N-methylcarbamate
CID 177120836
tert-butyl N-(6-fluoro-2-pyridinyl)-N-methylcarbamate
CID 101072166
tert-butyl N-(4-cyano-5-methoxy-3-pyridinyl)-N-methylcarbamate
CID 53410931
tert-butyl N-[6-amino-7-(6-chloro-2-pyridinyl)-1-methylimidazo[4,5-c]pyridin-4-yl]-N-methylcarbamate
CID 88908676
tert-butyl N-[(6-amino-3-pyridinyl)methyl]-N-methylcarbamate
CID 164526047

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(6-amino-3-methoxy-2-pyridinyl)-N-methylcarbamate?
The IUPAC name of tert-butyl N-(6-amino-3-methoxy-2-pyridinyl)-N-methylcarbamate (CID 90054827) is tert-butyl N-(6-amino-3-methoxy-2-pyridinyl)-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-(6-amino-3-methoxy-2-pyridinyl)-N-methylcarbamate?
The canonical SMILES for tert-butyl N-(6-amino-3-methoxy-2-pyridinyl)-N-methylcarbamate is COc1ccc(N)nc1N(C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(6-amino-3-methoxy-2-pyridinyl)-N-methylcarbamate?
The InChIKey is QNISBWMUFYDCKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-12(2,3)18-11(16)15(4)10-8(17-5)6-7-9(13)14-10/h6-7H,1-5H3,(H2,13,14).
What are the key properties of tert-butyl N-(6-amino-3-methoxy-2-pyridinyl)-N-methylcarbamate?
tert-butyl N-(6-amino-3-methoxy-2-pyridinyl)-N-methylcarbamate has a molecular weight of 253.30 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(6-amino-3-methoxy-2-pyridinyl)-N-methylcarbamate is sourced from PubChem (CID 90054827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).