6-[[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]amino]pyridine-3-carbonitrile

C18H20N4O3S — CID 26046044

IUPAC6-[[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]amino]pyridine-3-carbonitrile
SMILESCOc1ccc(S(=O)(=O)N2CCC(Nc3ccc(C#N)cn3)CC2)cc1
InChIInChI=1S/C18H20N4O3S/c1-25-16-3-5-17(6-4-16)26(23,24)22-10-8-15(9-11-22)21-18-7-2-14(12-19)13-20-18/h2-7,13,15H,8-11H2,1H3,(H,20,21)
InChIKeyBNCQEMUDMMOFLQ-UHFFFAOYSA-N
MW372.45 g/mol
LogP2.23
Rot. Bonds5

About 6-[[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]amino]pyridine-3-carbonitrile

6-[[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]amino]pyridine-3-carbonitrile (PubChem CID 26046044) has the molecular formula C18H20N4O3S and a molecular weight of 372.45 g/mol. Its IUPAC name is 6-[[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]amino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]amino]pyridine-3-carbonitrile
PubChem CID26046044
Molecular FormulaC18H20N4O3S
Molecular Weight372.45 g/mol
Exact Mass372.13
IUPAC Name6-[[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]amino]pyridine-3-carbonitrile
SMILESCOc1ccc(S(=O)(=O)N2CCC(Nc3ccc(C#N)cn3)CC2)cc1
InChIInChI=1S/C18H20N4O3S/c1-25-16-3-5-17(6-4-16)26(23,24)22-10-8-15(9-11-22)21-18-7-2-14(12-19)13-20-18/h2-7,13,15H,8-11H2,1H3,(H,20,21)
InChIKeyBNCQEMUDMMOFLQ-UHFFFAOYSA-N
XLogP2.23
TPSA95.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-[[1-(oxan-4-ylsulfonyl)piperidin-4-yl]amino]pyridine-3-carbonitrile
CID 133311673
N-[1-(4-cyanophenyl)sulfonylpiperidin-4-yl]-5-(4-methoxyphenoxy)-2,2-dimethylpentanamide
CID 142457747
N-(3,5-dimethylphenyl)-1-(4-methoxyphenyl)sulfonylpiperidin-4-amine
CID 4521391
2-[[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]amino]-4-methyl-1H-pyrimidin-6-one
CID 137058270
2-[[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]amino]-4,5-dimethyl-1H-pyrimidin-6-one
CID 135719583
5-(4-methylpiperazin-1-yl)sulfonyl-N-(1-methylsulfonylpiperidin-4-yl)pyridin-2-amine
CID 55519421
4-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]sulfonylbenzonitrile
CID 26667752
methyl 1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate
CID 737721
[(2R)-1-(4-cyanoanilino)-1-oxopropan-2-yl] 1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate
CID 41049422
1-(4-cyanophenyl)sulfonyl-N-[(6-methoxynaphthalen-2-yl)methyl]piperidine-4-carboxamide
CID 41287615
4-ethyl-2-[[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]amino]-1H-pyrimidin-6-one
CID 136761470
5-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]pyridine-2-carbonitrile
CID 133352225

Frequently Asked Questions

What is the IUPAC name of 6-[[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]amino]pyridine-3-carbonitrile?
The IUPAC name of 6-[[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]amino]pyridine-3-carbonitrile (CID 26046044) is 6-[[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]amino]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]amino]pyridine-3-carbonitrile?
The canonical SMILES for 6-[[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]amino]pyridine-3-carbonitrile is COc1ccc(S(=O)(=O)N2CCC(Nc3ccc(C#N)cn3)CC2)cc1.
What is the InChIKey of 6-[[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]amino]pyridine-3-carbonitrile?
The InChIKey is BNCQEMUDMMOFLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3S/c1-25-16-3-5-17(6-4-16)26(23,24)22-10-8-15(9-11-22)21-18-7-2-14(12-19)13-20-18/h2-7,13,15H,8-11H2,1H3,(H,20,21).
What are the key properties of 6-[[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]amino]pyridine-3-carbonitrile?
6-[[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]amino]pyridine-3-carbonitrile has a molecular weight of 372.45 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]amino]pyridine-3-carbonitrile is sourced from PubChem (CID 26046044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).