2-[[1-(4-methylphenyl)sulfonylpiperidin-4-yl]amino]pyridine-3-carbonitrile

C18H20N4O2S — CID 17451201

IUPAC2-[[1-(4-methylphenyl)sulfonylpiperidin-4-yl]amino]pyridine-3-carbonitrile
SMILESCc1ccc(S(=O)(=O)N2CCC(Nc3ncccc3C#N)CC2)cc1
InChIInChI=1S/C18H20N4O2S/c1-14-4-6-17(7-5-14)25(23,24)22-11-8-16(9-12-22)21-18-15(13-19)3-2-10-20-18/h2-7,10,16H,8-9,11-12H2,1H3,(H,20,21)
InChIKeyGBPBKSMXIUTOKU-UHFFFAOYSA-N
MW356.45 g/mol
LogP2.53
Rot. Bonds4

About 2-[[1-(4-methylphenyl)sulfonylpiperidin-4-yl]amino]pyridine-3-carbonitrile

2-[[1-(4-methylphenyl)sulfonylpiperidin-4-yl]amino]pyridine-3-carbonitrile (PubChem CID 17451201) has the molecular formula C18H20N4O2S and a molecular weight of 356.45 g/mol. Its IUPAC name is 2-[[1-(4-methylphenyl)sulfonylpiperidin-4-yl]amino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[[1-(4-methylphenyl)sulfonylpiperidin-4-yl]amino]pyridine-3-carbonitrile
PubChem CID17451201
Molecular FormulaC18H20N4O2S
Molecular Weight356.45 g/mol
Exact Mass356.13
IUPAC Name2-[[1-(4-methylphenyl)sulfonylpiperidin-4-yl]amino]pyridine-3-carbonitrile
SMILESCc1ccc(S(=O)(=O)N2CCC(Nc3ncccc3C#N)CC2)cc1
InChIInChI=1S/C18H20N4O2S/c1-14-4-6-17(7-5-14)25(23,24)22-11-8-16(9-12-22)21-18-15(13-19)3-2-10-20-18/h2-7,10,16H,8-9,11-12H2,1H3,(H,20,21)
InChIKeyGBPBKSMXIUTOKU-UHFFFAOYSA-N
XLogP2.53
TPSA86.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[4-(methylamino)cyclohexyl]amino]pyridine-3-carbonitrile
CID 79110256
ethyl 4-[(3-cyano-2-pyridinyl)amino]piperidine-1-carboxylate
CID 24710040
N-(2-fluorophenyl)-1-(4-methylphenyl)sulfonylpiperidin-4-amine
CID 3977208
5-fluoro-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]quinazolin-4-amine
CID 78901348
4-(cyclopentylamino)-2-[[1-[4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]sulfonylpiperidin-4-yl]amino]pyrimidine-5-carbonitrile
CID 164855040
2-[[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]amino]pyridine-3-carbonitrile
CID 133336053
3-chloro-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]pyridin-4-amine
CID 136512662
N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]pyridine-3-carboxamide
CID 30095905
N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]methanesulfonamide
CID 17484951
2-[(1-phenylpyrrolidin-3-yl)amino]pyridine-3-carbonitrile
CID 133292361
N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]pyrazolo[1,5-a]pyrimidin-5-amine
CID 91653166
2-[(3-methoxycyclopentyl)amino]pyridine-3-carbonitrile
CID 103081967

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(4-methylphenyl)sulfonylpiperidin-4-yl]amino]pyridine-3-carbonitrile?
The IUPAC name of 2-[[1-(4-methylphenyl)sulfonylpiperidin-4-yl]amino]pyridine-3-carbonitrile (CID 17451201) is 2-[[1-(4-methylphenyl)sulfonylpiperidin-4-yl]amino]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[[1-(4-methylphenyl)sulfonylpiperidin-4-yl]amino]pyridine-3-carbonitrile?
The canonical SMILES for 2-[[1-(4-methylphenyl)sulfonylpiperidin-4-yl]amino]pyridine-3-carbonitrile is Cc1ccc(S(=O)(=O)N2CCC(Nc3ncccc3C#N)CC2)cc1.
What is the InChIKey of 2-[[1-(4-methylphenyl)sulfonylpiperidin-4-yl]amino]pyridine-3-carbonitrile?
The InChIKey is GBPBKSMXIUTOKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2S/c1-14-4-6-17(7-5-14)25(23,24)22-11-8-16(9-12-22)21-18-15(13-19)3-2-10-20-18/h2-7,10,16H,8-9,11-12H2,1H3,(H,20,21).
What are the key properties of 2-[[1-(4-methylphenyl)sulfonylpiperidin-4-yl]amino]pyridine-3-carbonitrile?
2-[[1-(4-methylphenyl)sulfonylpiperidin-4-yl]amino]pyridine-3-carbonitrile has a molecular weight of 356.45 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(4-methylphenyl)sulfonylpiperidin-4-yl]amino]pyridine-3-carbonitrile is sourced from PubChem (CID 17451201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).