methyl 5-acetamido-4-aminopyridine-2-carboxylate

C9H11N3O3 — CID 86044714

IUPACmethyl 5-acetamido-4-aminopyridine-2-carboxylate
SMILESCOC(=O)c1cc(N)c(NC(C)=O)cn1
InChIInChI=1S/C9H11N3O3/c1-5(13)12-8-4-11-7(3-6(8)10)9(14)15-2/h3-4H,1-2H3,(H2,10,11)(H,12,13)
InChIKeyULNJFMZQCAITCP-UHFFFAOYSA-N
MW209.21 g/mol
LogP0.41
Rot. Bonds2

About methyl 5-acetamido-4-aminopyridine-2-carboxylate

methyl 5-acetamido-4-aminopyridine-2-carboxylate (PubChem CID 86044714) has the molecular formula C9H11N3O3 and a molecular weight of 209.21 g/mol. Its IUPAC name is methyl 5-acetamido-4-aminopyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-acetamido-4-aminopyridine-2-carboxylate
PubChem CID86044714
Molecular FormulaC9H11N3O3
Molecular Weight209.21 g/mol
Exact Mass209.08
IUPAC Namemethyl 5-acetamido-4-aminopyridine-2-carboxylate
SMILESCOC(=O)c1cc(N)c(NC(C)=O)cn1
InChIInChI=1S/C9H11N3O3/c1-5(13)12-8-4-11-7(3-6(8)10)9(14)15-2/h3-4H,1-2H3,(H2,10,11)(H,12,13)
InChIKeyULNJFMZQCAITCP-UHFFFAOYSA-N
XLogP0.41
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.21
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 5-acetamido-4-aminopyridine-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 5-acetamido-4-aminopyridine-2-carboxylate?
The IUPAC name of methyl 5-acetamido-4-aminopyridine-2-carboxylate (CID 86044714) is methyl 5-acetamido-4-aminopyridine-2-carboxylate.
What is the SMILES notation for methyl 5-acetamido-4-aminopyridine-2-carboxylate?
The canonical SMILES for methyl 5-acetamido-4-aminopyridine-2-carboxylate is COC(=O)c1cc(N)c(NC(C)=O)cn1.
What is the InChIKey of methyl 5-acetamido-4-aminopyridine-2-carboxylate?
The InChIKey is ULNJFMZQCAITCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O3/c1-5(13)12-8-4-11-7(3-6(8)10)9(14)15-2/h3-4H,1-2H3,(H2,10,11)(H,12,13).
What are the key properties of methyl 5-acetamido-4-aminopyridine-2-carboxylate?
methyl 5-acetamido-4-aminopyridine-2-carboxylate has a molecular weight of 209.21 g/mol, XLogP of 0.41, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-acetamido-4-aminopyridine-2-carboxylate is sourced from PubChem (CID 86044714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).