2-[5-chloro-2-[4-(methylsulfonylmethyl)piperidin-1-yl]-4-pyridinyl]-3,5-dimethylpyridine

C19H24ClN3O2S — CID 69044585

IUPAC2-[5-chloro-2-[4-(methylsulfonylmethyl)piperidin-1-yl]-4-pyridinyl]-3,5-dimethylpyridine
SMILESCc1cnc(-c2cc(N3CCC(CS(C)(=O)=O)CC3)ncc2Cl)c(C)c1
InChIInChI=1S/C19H24ClN3O2S/c1-13-8-14(2)19(22-10-13)16-9-18(21-11-17(16)20)23-6-4-15(5-7-23)12-26(3,24)25/h8-11,15H,4-7,12H2,1-3H3
InChIKeyQWPIEJLOWJBYGG-UHFFFAOYSA-N
MW393.94 g/mol
LogP3.67
Rot. Bonds4

About 2-[5-chloro-2-[4-(methylsulfonylmethyl)piperidin-1-yl]-4-pyridinyl]-3,5-dimethylpyridine

2-[5-chloro-2-[4-(methylsulfonylmethyl)piperidin-1-yl]-4-pyridinyl]-3,5-dimethylpyridine (PubChem CID 69044585) has the molecular formula C19H24ClN3O2S and a molecular weight of 393.94 g/mol. Its IUPAC name is 2-[5-chloro-2-[4-(methylsulfonylmethyl)piperidin-1-yl]-4-pyridinyl]-3,5-dimethylpyridine.

Molecular Properties

Compound Name2-[5-chloro-2-[4-(methylsulfonylmethyl)piperidin-1-yl]-4-pyridinyl]-3,5-dimethylpyridine
PubChem CID69044585
Molecular FormulaC19H24ClN3O2S
Molecular Weight393.94 g/mol
Exact Mass393.13
IUPAC Name2-[5-chloro-2-[4-(methylsulfonylmethyl)piperidin-1-yl]-4-pyridinyl]-3,5-dimethylpyridine
SMILESCc1cnc(-c2cc(N3CCC(CS(C)(=O)=O)CC3)ncc2Cl)c(C)c1
InChIInChI=1S/C19H24ClN3O2S/c1-13-8-14(2)19(22-10-13)16-9-18(21-11-17(16)20)23-6-4-15(5-7-23)12-26(3,24)25/h8-11,15H,4-7,12H2,1-3H3
InChIKeyQWPIEJLOWJBYGG-UHFFFAOYSA-N
XLogP3.67
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.94
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-chloro-2-[4-(methylsulfonylmethyl)piperidin-1-yl]-4-pyridinyl]-3,5-dimethylpyridine?
The IUPAC name of 2-[5-chloro-2-[4-(methylsulfonylmethyl)piperidin-1-yl]-4-pyridinyl]-3,5-dimethylpyridine (CID 69044585) is 2-[5-chloro-2-[4-(methylsulfonylmethyl)piperidin-1-yl]-4-pyridinyl]-3,5-dimethylpyridine.
What is the SMILES notation for 2-[5-chloro-2-[4-(methylsulfonylmethyl)piperidin-1-yl]-4-pyridinyl]-3,5-dimethylpyridine?
The canonical SMILES for 2-[5-chloro-2-[4-(methylsulfonylmethyl)piperidin-1-yl]-4-pyridinyl]-3,5-dimethylpyridine is Cc1cnc(-c2cc(N3CCC(CS(C)(=O)=O)CC3)ncc2Cl)c(C)c1.
What is the InChIKey of 2-[5-chloro-2-[4-(methylsulfonylmethyl)piperidin-1-yl]-4-pyridinyl]-3,5-dimethylpyridine?
The InChIKey is QWPIEJLOWJBYGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN3O2S/c1-13-8-14(2)19(22-10-13)16-9-18(21-11-17(16)20)23-6-4-15(5-7-23)12-26(3,24)25/h8-11,15H,4-7,12H2,1-3H3.
What are the key properties of 2-[5-chloro-2-[4-(methylsulfonylmethyl)piperidin-1-yl]-4-pyridinyl]-3,5-dimethylpyridine?
2-[5-chloro-2-[4-(methylsulfonylmethyl)piperidin-1-yl]-4-pyridinyl]-3,5-dimethylpyridine has a molecular weight of 393.94 g/mol, XLogP of 3.67, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-chloro-2-[4-(methylsulfonylmethyl)piperidin-1-yl]-4-pyridinyl]-3,5-dimethylpyridine is sourced from PubChem (CID 69044585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).