6-[(1-benzylsulfonylpiperidin-4-yl)amino]-3-chloropyridine-2-carbonitrile

C18H19ClN4O2S — CID 133306602

IUPAC6-[(1-benzylsulfonylpiperidin-4-yl)amino]-3-chloropyridine-2-carbonitrile
SMILESN#Cc1nc(NC2CCN(S(=O)(=O)Cc3ccccc3)CC2)ccc1Cl
InChIInChI=1S/C18H19ClN4O2S/c19-16-6-7-18(22-17(16)12-20)21-15-8-10-23(11-9-15)26(24,25)13-14-4-2-1-3-5-14/h1-7,15H,8-11,13H2,(H,21,22)
InChIKeyARVSJPVBMAILCB-UHFFFAOYSA-N
MW390.90 g/mol
LogP3.01
Rot. Bonds5

About 6-[(1-benzylsulfonylpiperidin-4-yl)amino]-3-chloropyridine-2-carbonitrile

6-[(1-benzylsulfonylpiperidin-4-yl)amino]-3-chloropyridine-2-carbonitrile (PubChem CID 133306602) has the molecular formula C18H19ClN4O2S and a molecular weight of 390.90 g/mol. Its IUPAC name is 6-[(1-benzylsulfonylpiperidin-4-yl)amino]-3-chloropyridine-2-carbonitrile.

Molecular Properties

Compound Name6-[(1-benzylsulfonylpiperidin-4-yl)amino]-3-chloropyridine-2-carbonitrile
PubChem CID133306602
Molecular FormulaC18H19ClN4O2S
Molecular Weight390.90 g/mol
Exact Mass390.09
IUPAC Name6-[(1-benzylsulfonylpiperidin-4-yl)amino]-3-chloropyridine-2-carbonitrile
SMILESN#Cc1nc(NC2CCN(S(=O)(=O)Cc3ccccc3)CC2)ccc1Cl
InChIInChI=1S/C18H19ClN4O2S/c19-16-6-7-18(22-17(16)12-20)21-15-8-10-23(11-9-15)26(24,25)13-14-4-2-1-3-5-14/h1-7,15H,8-11,13H2,(H,21,22)
InChIKeyARVSJPVBMAILCB-UHFFFAOYSA-N
XLogP3.01
TPSA86.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.90
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-benzylsulfonylpiperidin-4-yl)-6-(trifluoromethyl)pyridin-2-amine
CID 133306533
N-(1-benzylsulfonylpiperidin-4-yl)-6-nitroquinolin-2-amine
CID 133306596
N-(1-benzylsulfonylpiperidin-4-yl)-4,6-dimethylpyrimidin-2-amine
CID 133306595
N-(1-benzylsulfonylpiperidin-4-yl)-5-bromopyrimidin-2-amine
CID 133306530
N-(1-benzylsulfonylpiperidin-4-yl)-5-methylpyrimidin-2-amine
CID 75433513
N-(1-benzylsulfonylpiperidin-4-yl)-6-ethyl-2-pyridin-2-ylpyrimidin-4-amine
CID 133306579
N-(1-benzylsulfonylpiperidin-4-yl)-6-methyl-2-pyridin-3-ylpyrimidin-4-amine
CID 133306515
6-[(1-ethylsulfonylpiperidin-4-yl)amino]pyridazine-3-carbonitrile
CID 133433430
1-(1-benzylsulfonylpiperidin-4-yl)-3-propan-2-ylurea
CID 110823299
1-benzylsulfonyl-N-[(3,6-dimethylpyridazin-4-yl)methyl]piperidin-4-amine
CID 167943428
(1-benzylsulfonylpiperidin-4-yl)methanamine
CID 43605269
N-(1-benzylsulfonylpiperidin-4-yl)-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133306577

Frequently Asked Questions

What is the IUPAC name of 6-[(1-benzylsulfonylpiperidin-4-yl)amino]-3-chloropyridine-2-carbonitrile?
The IUPAC name of 6-[(1-benzylsulfonylpiperidin-4-yl)amino]-3-chloropyridine-2-carbonitrile (CID 133306602) is 6-[(1-benzylsulfonylpiperidin-4-yl)amino]-3-chloropyridine-2-carbonitrile.
What is the SMILES notation for 6-[(1-benzylsulfonylpiperidin-4-yl)amino]-3-chloropyridine-2-carbonitrile?
The canonical SMILES for 6-[(1-benzylsulfonylpiperidin-4-yl)amino]-3-chloropyridine-2-carbonitrile is N#Cc1nc(NC2CCN(S(=O)(=O)Cc3ccccc3)CC2)ccc1Cl.
What is the InChIKey of 6-[(1-benzylsulfonylpiperidin-4-yl)amino]-3-chloropyridine-2-carbonitrile?
The InChIKey is ARVSJPVBMAILCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN4O2S/c19-16-6-7-18(22-17(16)12-20)21-15-8-10-23(11-9-15)26(24,25)13-14-4-2-1-3-5-14/h1-7,15H,8-11,13H2,(H,21,22).
What are the key properties of 6-[(1-benzylsulfonylpiperidin-4-yl)amino]-3-chloropyridine-2-carbonitrile?
6-[(1-benzylsulfonylpiperidin-4-yl)amino]-3-chloropyridine-2-carbonitrile has a molecular weight of 390.90 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1-benzylsulfonylpiperidin-4-yl)amino]-3-chloropyridine-2-carbonitrile is sourced from PubChem (CID 133306602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).