5-amino-6-[2-(dimethylamino)ethylsulfanyl]pyridine-2-carboxylic acid

C10H15N3O2S — CID 114409789

IUPAC5-amino-6-[2-(dimethylamino)ethylsulfanyl]pyridine-2-carboxylic acid
SMILESCN(C)CCSc1nc(C(=O)O)ccc1N
InChIInChI=1S/C10H15N3O2S/c1-13(2)5-6-16-9-7(11)3-4-8(12-9)10(14)15/h3-4H,5-6,11H2,1-2H3,(H,14,15)
InChIKeyKJHKBIWUUHXPGT-UHFFFAOYSA-N
MW241.32 g/mol
LogP1.02
Rot. Bonds5

About 5-amino-6-[2-(dimethylamino)ethylsulfanyl]pyridine-2-carboxylic acid

5-amino-6-[2-(dimethylamino)ethylsulfanyl]pyridine-2-carboxylic acid (PubChem CID 114409789) has the molecular formula C10H15N3O2S and a molecular weight of 241.32 g/mol. Its IUPAC name is 5-amino-6-[2-(dimethylamino)ethylsulfanyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-amino-6-[2-(dimethylamino)ethylsulfanyl]pyridine-2-carboxylic acid
PubChem CID114409789
Molecular FormulaC10H15N3O2S
Molecular Weight241.32 g/mol
Exact Mass241.09
IUPAC Name5-amino-6-[2-(dimethylamino)ethylsulfanyl]pyridine-2-carboxylic acid
SMILESCN(C)CCSc1nc(C(=O)O)ccc1N
InChIInChI=1S/C10H15N3O2S/c1-13(2)5-6-16-9-7(11)3-4-8(12-9)10(14)15/h3-4H,5-6,11H2,1-2H3,(H,14,15)
InChIKeyKJHKBIWUUHXPGT-UHFFFAOYSA-N
XLogP1.02
TPSA79.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-amino-6-[2-(dimethylamino)ethylsulfanyl]pyridine-2-carboxylic acid 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-(2,3-dihydroxypropylsulfanyl)pyridine-2-carboxylic acid
CID 114409765
5-amino-6-[(2-methylphenyl)methylsulfanyl]pyridine-2-carboxylic acid
CID 114409611
4-amino-3-[2-(dimethylamino)ethylsulfanyl]benzoic acid
CID 82787063
methyl 5-amino-6-(3-hydroxypropylsulfanyl)pyridine-2-carboxylate
CID 114409757
5-amino-6-[5-hydroxypentyl(methyl)amino]pyridine-2-carboxylic acid
CID 107203250
6-[2-(dimethylamino)ethylsulfanyl]pyridine-2-carboxamide
CID 173092760
5-amino-6-(3,5-dichlorophenyl)sulfanylpyridine-2-carboxylic acid
CID 112736320
5-amino-6-(oxetan-3-ylsulfanyl)pyridine-2-carboxylic acid
CID 114409759
5-amino-6-benzylsulfanylpyridine-2-carboxamide
CID 114409310
5-amino-6-[(4-bromophenyl)methyl-methylamino]pyridine-2-carboxylic acid
CID 114405667
5-amino-6-[2-[ethyl(methyl)amino]ethylamino]pyridine-2-carboxylic acid
CID 114406408
3-[(3-amino-6-chloro-2-pyridinyl)sulfanyl]propanoic acid
CID 12700498

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-[2-(dimethylamino)ethylsulfanyl]pyridine-2-carboxylic acid?
The IUPAC name of 5-amino-6-[2-(dimethylamino)ethylsulfanyl]pyridine-2-carboxylic acid (CID 114409789) is 5-amino-6-[2-(dimethylamino)ethylsulfanyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-amino-6-[2-(dimethylamino)ethylsulfanyl]pyridine-2-carboxylic acid?
The canonical SMILES for 5-amino-6-[2-(dimethylamino)ethylsulfanyl]pyridine-2-carboxylic acid is CN(C)CCSc1nc(C(=O)O)ccc1N.
What is the InChIKey of 5-amino-6-[2-(dimethylamino)ethylsulfanyl]pyridine-2-carboxylic acid?
The InChIKey is KJHKBIWUUHXPGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2S/c1-13(2)5-6-16-9-7(11)3-4-8(12-9)10(14)15/h3-4H,5-6,11H2,1-2H3,(H,14,15).
What are the key properties of 5-amino-6-[2-(dimethylamino)ethylsulfanyl]pyridine-2-carboxylic acid?
5-amino-6-[2-(dimethylamino)ethylsulfanyl]pyridine-2-carboxylic acid has a molecular weight of 241.32 g/mol, XLogP of 1.02, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-[2-(dimethylamino)ethylsulfanyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 114409789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).