6-[1-[(3-methylphenyl)methylsulfonyl]piperidin-4-yl]oxypyridine-3-carbonitrile

C19H21N3O3S — CID 71799137

IUPAC6-[1-[(3-methylphenyl)methylsulfonyl]piperidin-4-yl]oxypyridine-3-carbonitrile
SMILESCc1cccc(CS(=O)(=O)N2CCC(Oc3ccc(C#N)cn3)CC2)c1
InChIInChI=1S/C19H21N3O3S/c1-15-3-2-4-16(11-15)14-26(23,24)22-9-7-18(8-10-22)25-19-6-5-17(12-20)13-21-19/h2-6,11,13,18H,7-10,14H2,1H3
InChIKeyHIDLHTYIBPYNPP-UHFFFAOYSA-N
MW371.46 g/mol
LogP2.63
Rot. Bonds5

About 6-[1-[(3-methylphenyl)methylsulfonyl]piperidin-4-yl]oxypyridine-3-carbonitrile

6-[1-[(3-methylphenyl)methylsulfonyl]piperidin-4-yl]oxypyridine-3-carbonitrile (PubChem CID 71799137) has the molecular formula C19H21N3O3S and a molecular weight of 371.46 g/mol. Its IUPAC name is 6-[1-[(3-methylphenyl)methylsulfonyl]piperidin-4-yl]oxypyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[1-[(3-methylphenyl)methylsulfonyl]piperidin-4-yl]oxypyridine-3-carbonitrile
PubChem CID71799137
Molecular FormulaC19H21N3O3S
Molecular Weight371.46 g/mol
Exact Mass371.13
IUPAC Name6-[1-[(3-methylphenyl)methylsulfonyl]piperidin-4-yl]oxypyridine-3-carbonitrile
SMILESCc1cccc(CS(=O)(=O)N2CCC(Oc3ccc(C#N)cn3)CC2)c1
InChIInChI=1S/C19H21N3O3S/c1-15-3-2-4-16(11-15)14-26(23,24)22-9-7-18(8-10-22)25-19-6-5-17(12-20)13-21-19/h2-6,11,13,18H,7-10,14H2,1H3
InChIKeyHIDLHTYIBPYNPP-UHFFFAOYSA-N
XLogP2.63
TPSA83.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Ethanesulfonic acid (3-benzyloxy-phenyl)-pyridin-3-ylmethyl-amide
CID 23521693
Ethanesulfonic acid (3-phenoxymethyl-phenyl)-pyridin-3-ylmethyl-amide
CID 23521708
4-[(5-Piperidin-1-ylsulfonyl-2-pyridinyl)oxy]benzonitrile
CID 24978821
Ethanesulfonic acid (4-phenoxymethyl-phenyl)-pyridin-3-ylmethyl-amide
CID 23521734
4-[(5-Morpholin-4-ylsulfonyl-2-pyridinyl)oxy]benzonitrile
CID 24979086
3-[(5-Pyrrolidin-1-ylsulfonyl-2-pyridinyl)oxy]benzonitrile
CID 4790715
4-[1-(4-Ethoxybenzenesulfonyl)piperidin-4-YL]pyridine
CID 16033054
2-[(5-Piperidin-1-ylsulfonyl-2-pyridinyl)oxy]benzonitrile
CID 24978833
4-[(5-Pyrrolidin-1-ylsulfonyl-2-pyridinyl)oxy]benzonitrile
CID 24234456
1-[[6-(3,5-Dimethylphenoxy)-3-pyridinyl]sulfonyl]-4-methylpiperazine
CID 24982959
N-{[2-(2,3-difluoro-4-methylphenoxy)-3-pyridinyl]methyl}-1-propanesulfonamide
CID 42463006
N-({2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl}methyl)-1-propanesulfonamide
CID 42595685

Frequently Asked Questions

What is the IUPAC name of 6-[1-[(3-methylphenyl)methylsulfonyl]piperidin-4-yl]oxypyridine-3-carbonitrile?
The IUPAC name of 6-[1-[(3-methylphenyl)methylsulfonyl]piperidin-4-yl]oxypyridine-3-carbonitrile (CID 71799137) is 6-[1-[(3-methylphenyl)methylsulfonyl]piperidin-4-yl]oxypyridine-3-carbonitrile.
What is the SMILES notation for 6-[1-[(3-methylphenyl)methylsulfonyl]piperidin-4-yl]oxypyridine-3-carbonitrile?
The canonical SMILES for 6-[1-[(3-methylphenyl)methylsulfonyl]piperidin-4-yl]oxypyridine-3-carbonitrile is Cc1cccc(CS(=O)(=O)N2CCC(Oc3ccc(C#N)cn3)CC2)c1.
What is the InChIKey of 6-[1-[(3-methylphenyl)methylsulfonyl]piperidin-4-yl]oxypyridine-3-carbonitrile?
The InChIKey is HIDLHTYIBPYNPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3S/c1-15-3-2-4-16(11-15)14-26(23,24)22-9-7-18(8-10-22)25-19-6-5-17(12-20)13-21-19/h2-6,11,13,18H,7-10,14H2,1H3.
What are the key properties of 6-[1-[(3-methylphenyl)methylsulfonyl]piperidin-4-yl]oxypyridine-3-carbonitrile?
6-[1-[(3-methylphenyl)methylsulfonyl]piperidin-4-yl]oxypyridine-3-carbonitrile has a molecular weight of 371.46 g/mol, XLogP of 2.63, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-[(3-methylphenyl)methylsulfonyl]piperidin-4-yl]oxypyridine-3-carbonitrile is sourced from PubChem (CID 71799137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).