2-methyl-5-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)oxypyridine

C21H22N2O3S — CID 90566562

IUPAC2-methyl-5-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)oxypyridine
SMILESCc1ccc(OC2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)cn1
InChIInChI=1S/C21H22N2O3S/c1-16-6-8-20(15-22-16)26-19-10-12-23(13-11-19)27(24,25)21-9-7-17-4-2-3-5-18(17)14-21/h2-9,14-15,19H,10-13H2,1H3
InChIKeyQWJUYYMPDFZRAH-UHFFFAOYSA-N
MW382.49 g/mol
LogP3.78
Rot. Bonds4

About 2-methyl-5-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)oxypyridine

2-methyl-5-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)oxypyridine (PubChem CID 90566562) has the molecular formula C21H22N2O3S and a molecular weight of 382.49 g/mol. Its IUPAC name is 2-methyl-5-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)oxypyridine.

Molecular Properties

Compound Name2-methyl-5-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)oxypyridine
PubChem CID90566562
Molecular FormulaC21H22N2O3S
Molecular Weight382.49 g/mol
Exact Mass382.14
IUPAC Name2-methyl-5-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)oxypyridine
SMILESCc1ccc(OC2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)cn1
InChIInChI=1S/C21H22N2O3S/c1-16-6-8-20(15-22-16)26-19-10-12-23(13-11-19)27(24,25)21-9-7-17-4-2-3-5-18(17)14-21/h2-9,14-15,19H,10-13H2,1H3
InChIKeyQWJUYYMPDFZRAH-UHFFFAOYSA-N
XLogP3.78
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-5-[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-yl]oxypyridine
CID 90566588
6-[(3S)-3-[(6-methyl-3-pyridinyl)oxy]pyrrolidin-1-yl]sulfonyl-3H-2-benzofuran-1-one
CID 129339619
(6-methyl-3-pyridinyl)-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone
CID 18148430
3-[1-(3-methoxyphenyl)sulfonylpiperidin-4-yl]oxypyridine
CID 90566188
5-[1-[(6-ethoxy-3-pyridinyl)sulfonyl]pyrrolidin-3-yl]oxy-2-methylpyridine
CID 129004923
5-(1-butylsulfonylpiperidin-4-yl)oxy-2-methylpyridine
CID 90566569
6-[3-[(6-methyl-3-pyridinyl)oxy]pyrrolidin-1-yl]sulfonyl-4H-1,4-benzoxazin-3-one
CID 129004903
7-(1-naphthalen-2-ylsulfonylazetidin-3-yl)oxyquinoline
CID 167965181
[(2S,6S)-2,6-dimethylpiperidin-1-yl]-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)methanone
CID 8795472
N-(5-methyl-2-pyridinyl)-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide
CID 25162169
(2R,6R)-2,6-dimethyl-4-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)morpholine
CID 1333651
1-(3-chloro-2-methylphenyl)sulfonyl-4-naphthalen-2-yloxypiperidine
CID 101248459

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)oxypyridine?
The IUPAC name of 2-methyl-5-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)oxypyridine (CID 90566562) is 2-methyl-5-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)oxypyridine.
What is the SMILES notation for 2-methyl-5-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)oxypyridine?
The canonical SMILES for 2-methyl-5-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)oxypyridine is Cc1ccc(OC2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)cn1.
What is the InChIKey of 2-methyl-5-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)oxypyridine?
The InChIKey is QWJUYYMPDFZRAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3S/c1-16-6-8-20(15-22-16)26-19-10-12-23(13-11-19)27(24,25)21-9-7-17-4-2-3-5-18(17)14-21/h2-9,14-15,19H,10-13H2,1H3.
What are the key properties of 2-methyl-5-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)oxypyridine?
2-methyl-5-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)oxypyridine has a molecular weight of 382.49 g/mol, XLogP of 3.78, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)oxypyridine is sourced from PubChem (CID 90566562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).