2,6-dimethyl-4-[(4-piperidin-1-ylsulfonylphenyl)methylamino]pyridine-3-carbonitrile

C20H24N4O2S — CID 133396475

IUPAC2,6-dimethyl-4-[(4-piperidin-1-ylsulfonylphenyl)methylamino]pyridine-3-carbonitrile
SMILESCc1cc(NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)c(C#N)c(C)n1
InChIInChI=1S/C20H24N4O2S/c1-15-12-20(19(13-21)16(2)23-15)22-14-17-6-8-18(9-7-17)27(25,26)24-10-4-3-5-11-24/h6-9,12H,3-5,10-11,14H2,1-2H3,(H,22,23)
InChIKeySVUZFGZJZQALGX-UHFFFAOYSA-N
MW384.51 g/mol
LogP3.36
Rot. Bonds5

About 2,6-dimethyl-4-[(4-piperidin-1-ylsulfonylphenyl)methylamino]pyridine-3-carbonitrile

2,6-dimethyl-4-[(4-piperidin-1-ylsulfonylphenyl)methylamino]pyridine-3-carbonitrile (PubChem CID 133396475) has the molecular formula C20H24N4O2S and a molecular weight of 384.51 g/mol. Its IUPAC name is 2,6-dimethyl-4-[(4-piperidin-1-ylsulfonylphenyl)methylamino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2,6-dimethyl-4-[(4-piperidin-1-ylsulfonylphenyl)methylamino]pyridine-3-carbonitrile
PubChem CID133396475
Molecular FormulaC20H24N4O2S
Molecular Weight384.51 g/mol
Exact Mass384.16
IUPAC Name2,6-dimethyl-4-[(4-piperidin-1-ylsulfonylphenyl)methylamino]pyridine-3-carbonitrile
SMILESCc1cc(NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)c(C#N)c(C)n1
InChIInChI=1S/C20H24N4O2S/c1-15-12-20(19(13-21)16(2)23-15)22-14-17-6-8-18(9-7-17)27(25,26)24-10-4-3-5-11-24/h6-9,12H,3-5,10-11,14H2,1-2H3,(H,22,23)
InChIKeySVUZFGZJZQALGX-UHFFFAOYSA-N
XLogP3.36
TPSA86.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.51
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[(3-cyano-2,6-dimethyl-4-pyridinyl)amino]methyl]benzamide
CID 133396427
2,6-dimethyl-4-[(3-methylphenyl)methylamino]pyridine-3-carbonitrile
CID 81060441
N-[(4-methylphenyl)methyl]-4-piperidin-1-ylsulfonylaniline
CID 110826196
2-[(4-pyrrolidin-1-ylsulfonylphenyl)methylamino]-5-(trifluoromethyl)benzonitrile
CID 133374221
2,6-dimethyl-4-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methylamino]pyridine-3-carbonitrile
CID 133396583
4-[4-(4-cyanophenyl)sulfonylpiperazin-1-yl]-2,6-dimethylpyridine-3-carbonitrile
CID 133396512
5-[[(3-cyano-2,6-dimethyl-4-pyridinyl)amino]methyl]furan-2-carboxylic acid
CID 81060334
3-methyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]-1,2,4-thiadiazol-5-amine
CID 133317905
2,6-dimethyl-4-[(2-methyl-2-methylsulfonylpropyl)amino]pyridine-3-carbonitrile
CID 81059921
5-bromo-3-methyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]pyridin-2-amine
CID 133373024
4-[(2-hydroxy-2-methylpropyl)amino]-2,6-dimethylpyridine-3-carbonitrile
CID 81042969
5-bromo-3-methyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]pyridin-2-amine
CID 133374222

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-[(4-piperidin-1-ylsulfonylphenyl)methylamino]pyridine-3-carbonitrile?
The IUPAC name of 2,6-dimethyl-4-[(4-piperidin-1-ylsulfonylphenyl)methylamino]pyridine-3-carbonitrile (CID 133396475) is 2,6-dimethyl-4-[(4-piperidin-1-ylsulfonylphenyl)methylamino]pyridine-3-carbonitrile.
What is the SMILES notation for 2,6-dimethyl-4-[(4-piperidin-1-ylsulfonylphenyl)methylamino]pyridine-3-carbonitrile?
The canonical SMILES for 2,6-dimethyl-4-[(4-piperidin-1-ylsulfonylphenyl)methylamino]pyridine-3-carbonitrile is Cc1cc(NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)c(C#N)c(C)n1.
What is the InChIKey of 2,6-dimethyl-4-[(4-piperidin-1-ylsulfonylphenyl)methylamino]pyridine-3-carbonitrile?
The InChIKey is SVUZFGZJZQALGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2S/c1-15-12-20(19(13-21)16(2)23-15)22-14-17-6-8-18(9-7-17)27(25,26)24-10-4-3-5-11-24/h6-9,12H,3-5,10-11,14H2,1-2H3,(H,22,23).
What are the key properties of 2,6-dimethyl-4-[(4-piperidin-1-ylsulfonylphenyl)methylamino]pyridine-3-carbonitrile?
2,6-dimethyl-4-[(4-piperidin-1-ylsulfonylphenyl)methylamino]pyridine-3-carbonitrile has a molecular weight of 384.51 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-[(4-piperidin-1-ylsulfonylphenyl)methylamino]pyridine-3-carbonitrile is sourced from PubChem (CID 133396475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).