tert-butyl 6-amino-5-methylpyridine-3-carboxylate

C11H16N2O2 — CID 135394582

IUPACtert-butyl 6-amino-5-methylpyridine-3-carboxylate
SMILESCc1cc(C(=O)OC(C)(C)C)cnc1N
InChIInChI=1S/C11H16N2O2/c1-7-5-8(6-13-9(7)12)10(14)15-11(2,3)4/h5-6H,1-4H3,(H2,12,13)
InChIKeyNLLNAIJFTPRQGU-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.93
Rot. Bonds1

About tert-butyl 6-amino-5-methylpyridine-3-carboxylate

tert-butyl 6-amino-5-methylpyridine-3-carboxylate (PubChem CID 135394582) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is tert-butyl 6-amino-5-methylpyridine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl 6-amino-5-methylpyridine-3-carboxylate
PubChem CID135394582
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Nametert-butyl 6-amino-5-methylpyridine-3-carboxylate
SMILESCc1cc(C(=O)OC(C)(C)C)cnc1N
InChIInChI=1S/C11H16N2O2/c1-7-5-8(6-13-9(7)12)10(14)15-11(2,3)4/h5-6H,1-4H3,(H2,12,13)
InChIKeyNLLNAIJFTPRQGU-UHFFFAOYSA-N
XLogP1.93
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 2,5-diaminopyridine-3-carboxylate
CID 133055490
tert-butyl 2-amino-5-fluoropyridine-3-carboxylate
CID 133055354
6-amino-N,N,5-trimethylpyridine-3-carboxamide;ethane
CID 178150598
tert-butyl 5-chloro-6-methoxypyridine-3-carboxylate
CID 133063146
ditert-butyl 5-aminobenzene-1,3-dicarboxylate
CID 24728886
ditert-butyl 2-methylbenzene-1,4-dicarboxylate
CID 175662987
methyl 5-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-3-carboxylate
CID 142212585
tert-butyl 1H-pyrido[3,2-c][1,2,5]thiadiazine-7-carboxylate
CID 154308551
2-methoxy-5-[(2-methylpropan-2-yl)oxycarbonyl]pyridine-3-carboxylic acid
CID 170171990
6-amino-5-methyl-N-(methyl-methylidene-oxo-λ6-sulfanyl)pyridine-3-carboxamide
CID 123407010
tert-butyl 6-cyano-5-ethenylpyridine-3-carboxylate
CID 143940545
tert-butyl 6-fluoropyridine-3-carboxylate
CID 66756622

Frequently Asked Questions

What is the IUPAC name of tert-butyl 6-amino-5-methylpyridine-3-carboxylate?
The IUPAC name of tert-butyl 6-amino-5-methylpyridine-3-carboxylate (CID 135394582) is tert-butyl 6-amino-5-methylpyridine-3-carboxylate.
What is the SMILES notation for tert-butyl 6-amino-5-methylpyridine-3-carboxylate?
The canonical SMILES for tert-butyl 6-amino-5-methylpyridine-3-carboxylate is Cc1cc(C(=O)OC(C)(C)C)cnc1N.
What is the InChIKey of tert-butyl 6-amino-5-methylpyridine-3-carboxylate?
The InChIKey is NLLNAIJFTPRQGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-7-5-8(6-13-9(7)12)10(14)15-11(2,3)4/h5-6H,1-4H3,(H2,12,13).
What are the key properties of tert-butyl 6-amino-5-methylpyridine-3-carboxylate?
tert-butyl 6-amino-5-methylpyridine-3-carboxylate has a molecular weight of 208.26 g/mol, XLogP of 1.93, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 6-amino-5-methylpyridine-3-carboxylate is sourced from PubChem (CID 135394582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).