methyl 5-amino-6-(1H-indol-2-ylsulfanyl)pyridine-2-carboxylate

C15H13N3O2S — CID 114409779

IUPACmethyl 5-amino-6-(1H-indol-2-ylsulfanyl)pyridine-2-carboxylate
SMILESCOC(=O)c1ccc(N)c(Sc2cc3ccccc3[nH]2)n1
InChIInChI=1S/C15H13N3O2S/c1-20-15(19)12-7-6-10(16)14(18-12)21-13-8-9-4-2-3-5-11(9)17-13/h2-8,17H,16H2,1H3
InChIKeyWQEDVSXWXBIKFJ-UHFFFAOYSA-N
MW299.36 g/mol
LogP3.08
Rot. Bonds3

About methyl 5-amino-6-(1H-indol-2-ylsulfanyl)pyridine-2-carboxylate

methyl 5-amino-6-(1H-indol-2-ylsulfanyl)pyridine-2-carboxylate (PubChem CID 114409779) has the molecular formula C15H13N3O2S and a molecular weight of 299.36 g/mol. Its IUPAC name is methyl 5-amino-6-(1H-indol-2-ylsulfanyl)pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-amino-6-(1H-indol-2-ylsulfanyl)pyridine-2-carboxylate
PubChem CID114409779
Molecular FormulaC15H13N3O2S
Molecular Weight299.36 g/mol
Exact Mass299.07
IUPAC Namemethyl 5-amino-6-(1H-indol-2-ylsulfanyl)pyridine-2-carboxylate
SMILESCOC(=O)c1ccc(N)c(Sc2cc3ccccc3[nH]2)n1
InChIInChI=1S/C15H13N3O2S/c1-20-15(19)12-7-6-10(16)14(18-12)21-13-8-9-4-2-3-5-11(9)17-13/h2-8,17H,16H2,1H3
InChIKeyWQEDVSXWXBIKFJ-UHFFFAOYSA-N
XLogP3.08
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.36
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 5-amino-6-(1H-indol-2-ylsulfanyl)pyridine-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

Related Compounds

5-amino-6-(1H-indol-2-ylsulfanyl)pyridine-2-carboxamide
CID 114409781
methyl 5-amino-6-(1H-benzimidazol-2-ylsulfanyl)pyridine-2-carboxylate
CID 114409353
methyl 2-amino-3-(1H-indol-2-ylsulfanyl)benzoate
CID 115547694
methyl 5-amino-6-cyclopentylsulfanylpyridine-2-carboxylate
CID 114409662
methyl 5-amino-6-(4-methylpyrimidin-2-yl)sulfanylpyridine-2-carboxylate
CID 114409595
1-[2-(1H-indol-2-ylsulfanyl)-3-pyridinyl]ethanone
CID 114055727
methyl 5-amino-6-[(5-oxo-4-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]pyridine-2-carboxylate
CID 114409654
methyl 2-(1H-indol-2-ylsulfanyl)acetate
CID 10727704
methyl 5-amino-6-(1-cyclopropyltetrazol-5-yl)sulfanylpyridine-2-carboxylate
CID 114409394
methyl 5-amino-6-(3-hydroxypropylsulfanyl)pyridine-2-carboxylate
CID 114409757
5-chloro-6-(1H-indol-2-ylsulfanyl)pyrimidin-4-amine
CID 114049989
5-bromo-6-(1H-indol-2-ylsulfanyl)-4-methylpyridin-3-amine
CID 104507692

Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-6-(1H-indol-2-ylsulfanyl)pyridine-2-carboxylate?
The IUPAC name of methyl 5-amino-6-(1H-indol-2-ylsulfanyl)pyridine-2-carboxylate (CID 114409779) is methyl 5-amino-6-(1H-indol-2-ylsulfanyl)pyridine-2-carboxylate.
What is the SMILES notation for methyl 5-amino-6-(1H-indol-2-ylsulfanyl)pyridine-2-carboxylate?
The canonical SMILES for methyl 5-amino-6-(1H-indol-2-ylsulfanyl)pyridine-2-carboxylate is COC(=O)c1ccc(N)c(Sc2cc3ccccc3[nH]2)n1.
What is the InChIKey of methyl 5-amino-6-(1H-indol-2-ylsulfanyl)pyridine-2-carboxylate?
The InChIKey is WQEDVSXWXBIKFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2S/c1-20-15(19)12-7-6-10(16)14(18-12)21-13-8-9-4-2-3-5-11(9)17-13/h2-8,17H,16H2,1H3.
What are the key properties of methyl 5-amino-6-(1H-indol-2-ylsulfanyl)pyridine-2-carboxylate?
methyl 5-amino-6-(1H-indol-2-ylsulfanyl)pyridine-2-carboxylate has a molecular weight of 299.36 g/mol, XLogP of 3.08, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-6-(1H-indol-2-ylsulfanyl)pyridine-2-carboxylate is sourced from PubChem (CID 114409779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).