2-(3-methylimidazol-4-yl)-6-(1-methylsulfonylpyrrolidin-2-yl)pyridine

C14H18N4O2S — CID 110131868

IUPAC2-(3-methylimidazol-4-yl)-6-(1-methylsulfonylpyrrolidin-2-yl)pyridine
SMILESCn1cncc1-c1cccc(C2CCCN2S(C)(=O)=O)n1
InChIInChI=1S/C14H18N4O2S/c1-17-10-15-9-14(17)12-6-3-5-11(16-12)13-7-4-8-18(13)21(2,19)20/h3,5-6,9-10,13H,4,7-8H2,1-2H3
InChIKeyRVWLVYOCDWQYDG-UHFFFAOYSA-N
MW306.39 g/mol
LogP1.58
Rot. Bonds3

About 2-(3-methylimidazol-4-yl)-6-(1-methylsulfonylpyrrolidin-2-yl)pyridine

2-(3-methylimidazol-4-yl)-6-(1-methylsulfonylpyrrolidin-2-yl)pyridine (PubChem CID 110131868) has the molecular formula C14H18N4O2S and a molecular weight of 306.39 g/mol. Its IUPAC name is 2-(3-methylimidazol-4-yl)-6-(1-methylsulfonylpyrrolidin-2-yl)pyridine.

Molecular Properties

Compound Name2-(3-methylimidazol-4-yl)-6-(1-methylsulfonylpyrrolidin-2-yl)pyridine
PubChem CID110131868
Molecular FormulaC14H18N4O2S
Molecular Weight306.39 g/mol
Exact Mass306.12
IUPAC Name2-(3-methylimidazol-4-yl)-6-(1-methylsulfonylpyrrolidin-2-yl)pyridine
SMILESCn1cncc1-c1cccc(C2CCCN2S(C)(=O)=O)n1
InChIInChI=1S/C14H18N4O2S/c1-17-10-15-9-14(17)12-6-3-5-11(16-12)13-7-4-8-18(13)21(2,19)20/h3,5-6,9-10,13H,4,7-8H2,1-2H3
InChIKeyRVWLVYOCDWQYDG-UHFFFAOYSA-N
XLogP1.58
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-6-(3-methylimidazol-4-yl)-2-(1-methylsulfonylpiperidin-2-yl)pyrimidine
CID 110131743
2-(5-methyl-1H-pyrazol-3-yl)-6-[(2R)-1-methylsulfonylpyrrolidin-2-yl]pyridine
CID 125001106
2-[(2R)-1-methylsulfonylpyrrolidin-2-yl]-6-(1H-pyrazol-5-yl)pyridine
CID 124993531
3-[6-[(2R)-1-methylsulfonylpyrrolidin-2-yl]-2-pyridinyl]benzoic acid
CID 124969408
2-imidazol-1-yl-6-[(2S)-1-methylsulfonylpyrrolidin-2-yl]pyridine
CID 95838660
N,N-dimethyl-2-[6-(2-methylpyrazol-3-yl)-2-pyridinyl]pyrrolidine-1-sulfonamide
CID 110101899
4-[6-[(2S)-1-methylsulfonylpyrrolidin-2-yl]pyrazin-2-yl]benzoic acid
CID 124945130
2-[[6-[(2S)-1-methylsulfonylpyrrolidin-2-yl]-2-pyridinyl]amino]ethanol
CID 95846391
2-[(4-fluorophenyl)methyl]-6-[(2R)-1-methylsulfonylpyrrolidin-2-yl]pyridine
CID 95817970
2-[(2R)-1-methylsulfonylpyrrolidin-2-yl]-6-[[4-(trifluoromethyl)phenyl]methyl]pyridine
CID 95817972
4,4-dimethyl-3-[6-(1-methylsulfonylpyrrolidin-2-yl)-2-pyridinyl]-1,3-oxazolidin-2-one
CID 110099097
2-(2-methylpyrazol-3-yl)-6-(1-methylpyrrolidin-2-yl)pyridine
CID 127246025

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylimidazol-4-yl)-6-(1-methylsulfonylpyrrolidin-2-yl)pyridine?
The IUPAC name of 2-(3-methylimidazol-4-yl)-6-(1-methylsulfonylpyrrolidin-2-yl)pyridine (CID 110131868) is 2-(3-methylimidazol-4-yl)-6-(1-methylsulfonylpyrrolidin-2-yl)pyridine.
What is the SMILES notation for 2-(3-methylimidazol-4-yl)-6-(1-methylsulfonylpyrrolidin-2-yl)pyridine?
The canonical SMILES for 2-(3-methylimidazol-4-yl)-6-(1-methylsulfonylpyrrolidin-2-yl)pyridine is Cn1cncc1-c1cccc(C2CCCN2S(C)(=O)=O)n1.
What is the InChIKey of 2-(3-methylimidazol-4-yl)-6-(1-methylsulfonylpyrrolidin-2-yl)pyridine?
The InChIKey is RVWLVYOCDWQYDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2S/c1-17-10-15-9-14(17)12-6-3-5-11(16-12)13-7-4-8-18(13)21(2,19)20/h3,5-6,9-10,13H,4,7-8H2,1-2H3.
What are the key properties of 2-(3-methylimidazol-4-yl)-6-(1-methylsulfonylpyrrolidin-2-yl)pyridine?
2-(3-methylimidazol-4-yl)-6-(1-methylsulfonylpyrrolidin-2-yl)pyridine has a molecular weight of 306.39 g/mol, XLogP of 1.58, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylimidazol-4-yl)-6-(1-methylsulfonylpyrrolidin-2-yl)pyridine is sourced from PubChem (CID 110131868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).