2-[(4-cyano-6-methyl-2-pyridinyl)amino]-N,N-dimethylethanesulfonamide

C11H16N4O2S — CID 106338610

IUPAC2-[(4-cyano-6-methyl-2-pyridinyl)amino]-N,N-dimethylethanesulfonamide
SMILESCc1cc(C#N)cc(NCCS(=O)(=O)N(C)C)n1
InChIInChI=1S/C11H16N4O2S/c1-9-6-10(8-12)7-11(14-9)13-4-5-18(16,17)15(2)3/h6-7H,4-5H2,1-3H3,(H,13,14)
InChIKeyDGGRPDPHBAZSIH-UHFFFAOYSA-N
MW268.34 g/mol
LogP0.56
Rot. Bonds5

About 2-[(4-cyano-6-methyl-2-pyridinyl)amino]-N,N-dimethylethanesulfonamide

2-[(4-cyano-6-methyl-2-pyridinyl)amino]-N,N-dimethylethanesulfonamide (PubChem CID 106338610) has the molecular formula C11H16N4O2S and a molecular weight of 268.34 g/mol. Its IUPAC name is 2-[(4-cyano-6-methyl-2-pyridinyl)amino]-N,N-dimethylethanesulfonamide.

Molecular Properties

Compound Name2-[(4-cyano-6-methyl-2-pyridinyl)amino]-N,N-dimethylethanesulfonamide
PubChem CID106338610
Molecular FormulaC11H16N4O2S
Molecular Weight268.34 g/mol
Exact Mass268.10
IUPAC Name2-[(4-cyano-6-methyl-2-pyridinyl)amino]-N,N-dimethylethanesulfonamide
SMILESCc1cc(C#N)cc(NCCS(=O)(=O)N(C)C)n1
InChIInChI=1S/C11H16N4O2S/c1-9-6-10(8-12)7-11(14-9)13-4-5-18(16,17)15(2)3/h6-7H,4-5H2,1-3H3,(H,13,14)
InChIKeyDGGRPDPHBAZSIH-UHFFFAOYSA-N
XLogP0.56
TPSA86.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(4-cyano-6-methyl-2-pyridinyl)amino]-N,N-dimethylethanesulfonamide 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

2-methyl-6-(pentylamino)pyridine-4-carbonitrile
CID 114765696
2-[(4-cyano-6-methyl-2-pyridinyl)amino]ethylurea
CID 114766555
3-[(4-cyano-6-methyl-2-pyridinyl)amino]propanamide
CID 114765879
3-[(4-cyano-6-methyl-2-pyridinyl)amino]-N-methylpropanamide
CID 114766134
methyl 3-[(4-cyano-6-methyl-2-pyridinyl)amino]propanoate
CID 114765934
4-[(4-cyano-6-methyl-2-pyridinyl)amino]butanamide
CID 114765908
2-[(4-cyano-6-methyl-2-pyridinyl)amino]ethyl carbamate
CID 114766558
2-[[2-amino-6-(ethylamino)pyrimidin-4-yl]amino]-N,N-dimethylethanesulfonamide
CID 106343596
2-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-6-methylpyridine-4-carbonitrile
CID 114765679
N,N-dimethyl-2-[(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)amino]ethanesulfonamide
CID 50982961
2-[(2-tert-butyl-6-chloropyrimidin-4-yl)amino]-N,N-dimethylethanesulfonamide
CID 106341655
2-methyl-6-(3-pyrazol-1-ylpropylamino)pyridine-4-carbonitrile
CID 114766602

Frequently Asked Questions

What is the IUPAC name of 2-[(4-cyano-6-methyl-2-pyridinyl)amino]-N,N-dimethylethanesulfonamide?
The IUPAC name of 2-[(4-cyano-6-methyl-2-pyridinyl)amino]-N,N-dimethylethanesulfonamide (CID 106338610) is 2-[(4-cyano-6-methyl-2-pyridinyl)amino]-N,N-dimethylethanesulfonamide.
What is the SMILES notation for 2-[(4-cyano-6-methyl-2-pyridinyl)amino]-N,N-dimethylethanesulfonamide?
The canonical SMILES for 2-[(4-cyano-6-methyl-2-pyridinyl)amino]-N,N-dimethylethanesulfonamide is Cc1cc(C#N)cc(NCCS(=O)(=O)N(C)C)n1.
What is the InChIKey of 2-[(4-cyano-6-methyl-2-pyridinyl)amino]-N,N-dimethylethanesulfonamide?
The InChIKey is DGGRPDPHBAZSIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2S/c1-9-6-10(8-12)7-11(14-9)13-4-5-18(16,17)15(2)3/h6-7H,4-5H2,1-3H3,(H,13,14).
What are the key properties of 2-[(4-cyano-6-methyl-2-pyridinyl)amino]-N,N-dimethylethanesulfonamide?
2-[(4-cyano-6-methyl-2-pyridinyl)amino]-N,N-dimethylethanesulfonamide has a molecular weight of 268.34 g/mol, XLogP of 0.56, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-cyano-6-methyl-2-pyridinyl)amino]-N,N-dimethylethanesulfonamide is sourced from PubChem (CID 106338610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).