2-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]-6-(3-methylphenyl)pyridine

C21H24N4O2S — CID 110249966

IUPAC2-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]-6-(3-methylphenyl)pyridine
SMILESCc1cccc(-c2cccc(C3CCCN(S(=O)(=O)c4cn(C)cn4)C3)n2)c1
InChIInChI=1S/C21H24N4O2S/c1-16-6-3-7-17(12-16)19-9-4-10-20(23-19)18-8-5-11-25(13-18)28(26,27)21-14-24(2)15-22-21/h3-4,6-7,9-10,12,14-15,18H,5,8,11,13H2,1-2H3
InChIKeyUKBZYCDNHGKNLQ-UHFFFAOYSA-N
MW396.52 g/mol
LogP3.36
Rot. Bonds4

About 2-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]-6-(3-methylphenyl)pyridine

2-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]-6-(3-methylphenyl)pyridine (PubChem CID 110249966) has the molecular formula C21H24N4O2S and a molecular weight of 396.52 g/mol. Its IUPAC name is 2-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]-6-(3-methylphenyl)pyridine.

Molecular Properties

Compound Name2-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]-6-(3-methylphenyl)pyridine
PubChem CID110249966
Molecular FormulaC21H24N4O2S
Molecular Weight396.52 g/mol
Exact Mass396.16
IUPAC Name2-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]-6-(3-methylphenyl)pyridine
SMILESCc1cccc(-c2cccc(C3CCCN(S(=O)(=O)c4cn(C)cn4)C3)n2)c1
InChIInChI=1S/C21H24N4O2S/c1-16-6-3-7-17(12-16)19-9-4-10-20(23-19)18-8-5-11-25(13-18)28(26,27)21-14-24(2)15-22-21/h3-4,6-7,9-10,12,14-15,18H,5,8,11,13H2,1-2H3
InChIKeyUKBZYCDNHGKNLQ-UHFFFAOYSA-N
XLogP3.36
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.52
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]-6-(3-methylphenyl)pyridine?
The IUPAC name of 2-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]-6-(3-methylphenyl)pyridine (CID 110249966) is 2-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]-6-(3-methylphenyl)pyridine.
What is the SMILES notation for 2-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]-6-(3-methylphenyl)pyridine?
The canonical SMILES for 2-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]-6-(3-methylphenyl)pyridine is Cc1cccc(-c2cccc(C3CCCN(S(=O)(=O)c4cn(C)cn4)C3)n2)c1.
What is the InChIKey of 2-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]-6-(3-methylphenyl)pyridine?
The InChIKey is UKBZYCDNHGKNLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2S/c1-16-6-3-7-17(12-16)19-9-4-10-20(23-19)18-8-5-11-25(13-18)28(26,27)21-14-24(2)15-22-21/h3-4,6-7,9-10,12,14-15,18H,5,8,11,13H2,1-2H3.
What are the key properties of 2-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]-6-(3-methylphenyl)pyridine?
2-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]-6-(3-methylphenyl)pyridine has a molecular weight of 396.52 g/mol, XLogP of 3.36, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]-6-(3-methylphenyl)pyridine is sourced from PubChem (CID 110249966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).