5-amino-6-(2,2-dimethylthiomorpholin-4-yl)pyridine-2-carboxamide

C12H18N4OS — CID 114408099

IUPAC5-amino-6-(2,2-dimethylthiomorpholin-4-yl)pyridine-2-carboxamide
SMILESCC1(C)CN(c2nc(C(N)=O)ccc2N)CCS1
InChIInChI=1S/C12H18N4OS/c1-12(2)7-16(5-6-18-12)11-8(13)3-4-9(15-11)10(14)17/h3-4H,5-7,13H2,1-2H3,(H2,14,17)
InChIKeyRUIYDEBLYJQOQU-UHFFFAOYSA-N
MW266.37 g/mol
LogP1.09
Rot. Bonds2

About 5-amino-6-(2,2-dimethylthiomorpholin-4-yl)pyridine-2-carboxamide

5-amino-6-(2,2-dimethylthiomorpholin-4-yl)pyridine-2-carboxamide (PubChem CID 114408099) has the molecular formula C12H18N4OS and a molecular weight of 266.37 g/mol. Its IUPAC name is 5-amino-6-(2,2-dimethylthiomorpholin-4-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-amino-6-(2,2-dimethylthiomorpholin-4-yl)pyridine-2-carboxamide
PubChem CID114408099
Molecular FormulaC12H18N4OS
Molecular Weight266.37 g/mol
Exact Mass266.12
IUPAC Name5-amino-6-(2,2-dimethylthiomorpholin-4-yl)pyridine-2-carboxamide
SMILESCC1(C)CN(c2nc(C(N)=O)ccc2N)CCS1
InChIInChI=1S/C12H18N4OS/c1-12(2)7-16(5-6-18-12)11-8(13)3-4-9(15-11)10(14)17/h3-4H,5-7,13H2,1-2H3,(H2,14,17)
InChIKeyRUIYDEBLYJQOQU-UHFFFAOYSA-N
XLogP1.09
TPSA85.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-amino-6-(2,2-dimethylthiomorpholin-4-yl)pyridine-2-carboxamide 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 5-amino-6-(2,2-dimethylthiomorpholin-4-yl)pyridine-2-carboxamide?
The IUPAC name of 5-amino-6-(2,2-dimethylthiomorpholin-4-yl)pyridine-2-carboxamide (CID 114408099) is 5-amino-6-(2,2-dimethylthiomorpholin-4-yl)pyridine-2-carboxamide.
What is the SMILES notation for 5-amino-6-(2,2-dimethylthiomorpholin-4-yl)pyridine-2-carboxamide?
The canonical SMILES for 5-amino-6-(2,2-dimethylthiomorpholin-4-yl)pyridine-2-carboxamide is CC1(C)CN(c2nc(C(N)=O)ccc2N)CCS1.
What is the InChIKey of 5-amino-6-(2,2-dimethylthiomorpholin-4-yl)pyridine-2-carboxamide?
The InChIKey is RUIYDEBLYJQOQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4OS/c1-12(2)7-16(5-6-18-12)11-8(13)3-4-9(15-11)10(14)17/h3-4H,5-7,13H2,1-2H3,(H2,14,17).
What are the key properties of 5-amino-6-(2,2-dimethylthiomorpholin-4-yl)pyridine-2-carboxamide?
5-amino-6-(2,2-dimethylthiomorpholin-4-yl)pyridine-2-carboxamide has a molecular weight of 266.37 g/mol, XLogP of 1.09, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-(2,2-dimethylthiomorpholin-4-yl)pyridine-2-carboxamide is sourced from PubChem (CID 114408099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).