4-[[(6-methylsulfonyl-3-pyridinyl)amino]methyl]benzonitrile

C14H13N3O2S — CID 43675232

IUPAC4-[[(6-methylsulfonyl-3-pyridinyl)amino]methyl]benzonitrile
SMILESCS(=O)(=O)c1ccc(NCc2ccc(C#N)cc2)cn1
InChIInChI=1S/C14H13N3O2S/c1-20(18,19)14-7-6-13(10-17-14)16-9-12-4-2-11(8-15)3-5-12/h2-7,10,16H,9H2,1H3
InChIKeyZVGHDLHKCKTDNL-UHFFFAOYSA-N
MW287.34 g/mol
LogP1.97
Rot. Bonds4

About 4-[[(6-methylsulfonyl-3-pyridinyl)amino]methyl]benzonitrile

4-[[(6-methylsulfonyl-3-pyridinyl)amino]methyl]benzonitrile (PubChem CID 43675232) has the molecular formula C14H13N3O2S and a molecular weight of 287.34 g/mol. Its IUPAC name is 4-[[(6-methylsulfonyl-3-pyridinyl)amino]methyl]benzonitrile.

Molecular Properties

Compound Name4-[[(6-methylsulfonyl-3-pyridinyl)amino]methyl]benzonitrile
PubChem CID43675232
Molecular FormulaC14H13N3O2S
Molecular Weight287.34 g/mol
Exact Mass287.07
IUPAC Name4-[[(6-methylsulfonyl-3-pyridinyl)amino]methyl]benzonitrile
SMILESCS(=O)(=O)c1ccc(NCc2ccc(C#N)cc2)cn1
InChIInChI=1S/C14H13N3O2S/c1-20(18,19)14-7-6-13(10-17-14)16-9-12-4-2-11(8-15)3-5-12/h2-7,10,16H,9H2,1H3
InChIKeyZVGHDLHKCKTDNL-UHFFFAOYSA-N
XLogP1.97
TPSA82.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[[(6-methylsulfonyl-3-pyridinyl)amino]methyl]benzonitrile 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

6-methylsulfonyl-N-[(4-propan-2-ylphenyl)methyl]pyridin-3-amine
CID 43675225
N-[(3,4-dichlorophenyl)methyl]-6-methylsulfonylpyridin-3-amine
CID 43675178
N-[(3,5-dichlorophenyl)methyl]-6-methylsulfonylpyridin-3-amine
CID 60788811
5-[(4-methylsulfonylphenyl)methylamino]pyridine-2-carbonitrile
CID 79840062
5-[[(6-methylsulfonyl-3-pyridinyl)amino]methyl]thiophene-2-carbonitrile
CID 104624407
N-[(1-ethylpyrazol-4-yl)methyl]-6-methylsulfonylpyridin-3-amine
CID 103930510
4-[[[6-(diethylamino)-3-pyridinyl]amino]methyl]benzonitrile
CID 43697331
N-[(3-chlorophenyl)methyl]-6-methylsulfonylpyridin-3-amine
CID 43675273
4-[(4-fluorophenyl)methylamino]benzonitrile
CID 22353725
4-[[[6-(2-hydroxyethoxy)-3-pyridinyl]amino]methyl]benzonitrile
CID 109379854
5-[(4-ethylsulfonylphenyl)methylamino]pyridine-2-carbonitrile
CID 100675654
N-methyl-6-methylsulfonylpyridin-3-amine
CID 63091077

Frequently Asked Questions

What is the IUPAC name of 4-[[(6-methylsulfonyl-3-pyridinyl)amino]methyl]benzonitrile?
The IUPAC name of 4-[[(6-methylsulfonyl-3-pyridinyl)amino]methyl]benzonitrile (CID 43675232) is 4-[[(6-methylsulfonyl-3-pyridinyl)amino]methyl]benzonitrile.
What is the SMILES notation for 4-[[(6-methylsulfonyl-3-pyridinyl)amino]methyl]benzonitrile?
The canonical SMILES for 4-[[(6-methylsulfonyl-3-pyridinyl)amino]methyl]benzonitrile is CS(=O)(=O)c1ccc(NCc2ccc(C#N)cc2)cn1.
What is the InChIKey of 4-[[(6-methylsulfonyl-3-pyridinyl)amino]methyl]benzonitrile?
The InChIKey is ZVGHDLHKCKTDNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2S/c1-20(18,19)14-7-6-13(10-17-14)16-9-12-4-2-11(8-15)3-5-12/h2-7,10,16H,9H2,1H3.
What are the key properties of 4-[[(6-methylsulfonyl-3-pyridinyl)amino]methyl]benzonitrile?
4-[[(6-methylsulfonyl-3-pyridinyl)amino]methyl]benzonitrile has a molecular weight of 287.34 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(6-methylsulfonyl-3-pyridinyl)amino]methyl]benzonitrile is sourced from PubChem (CID 43675232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).