methyl 3-amino-6-tert-butyl-2-(methylamino)pyridine-4-carboxylate

C12H19N3O2 — CID 96593721

IUPACmethyl 3-amino-6-tert-butyl-2-(methylamino)pyridine-4-carboxylate
SMILESCNc1nc(C(C)(C)C)cc(C(=O)OC)c1N
InChIInChI=1S/C12H19N3O2/c1-12(2,3)8-6-7(11(16)17-5)9(13)10(14-4)15-8/h6H,13H2,1-5H3,(H,14,15)
InChIKeyUFJHEHQURQYWNI-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.79
Rot. Bonds2

About methyl 3-amino-6-tert-butyl-2-(methylamino)pyridine-4-carboxylate

methyl 3-amino-6-tert-butyl-2-(methylamino)pyridine-4-carboxylate (PubChem CID 96593721) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is methyl 3-amino-6-tert-butyl-2-(methylamino)pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 3-amino-6-tert-butyl-2-(methylamino)pyridine-4-carboxylate
PubChem CID96593721
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Namemethyl 3-amino-6-tert-butyl-2-(methylamino)pyridine-4-carboxylate
SMILESCNc1nc(C(C)(C)C)cc(C(=O)OC)c1N
InChIInChI=1S/C12H19N3O2/c1-12(2,3)8-6-7(11(16)17-5)9(13)10(14-4)15-8/h6H,13H2,1-5H3,(H,14,15)
InChIKeyUFJHEHQURQYWNI-UHFFFAOYSA-N
XLogP1.79
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-6-tert-butyl-2-(methylamino)pyridine-4-carboxylate?
The IUPAC name of methyl 3-amino-6-tert-butyl-2-(methylamino)pyridine-4-carboxylate (CID 96593721) is methyl 3-amino-6-tert-butyl-2-(methylamino)pyridine-4-carboxylate.
What is the SMILES notation for methyl 3-amino-6-tert-butyl-2-(methylamino)pyridine-4-carboxylate?
The canonical SMILES for methyl 3-amino-6-tert-butyl-2-(methylamino)pyridine-4-carboxylate is CNc1nc(C(C)(C)C)cc(C(=O)OC)c1N.
What is the InChIKey of methyl 3-amino-6-tert-butyl-2-(methylamino)pyridine-4-carboxylate?
The InChIKey is UFJHEHQURQYWNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-12(2,3)8-6-7(11(16)17-5)9(13)10(14-4)15-8/h6H,13H2,1-5H3,(H,14,15).
What are the key properties of methyl 3-amino-6-tert-butyl-2-(methylamino)pyridine-4-carboxylate?
methyl 3-amino-6-tert-butyl-2-(methylamino)pyridine-4-carboxylate has a molecular weight of 237.30 g/mol, XLogP of 1.79, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-6-tert-butyl-2-(methylamino)pyridine-4-carboxylate is sourced from PubChem (CID 96593721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).