2-methyl-6-[(2R)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-2-yl]-1H-pyridin-4-one

C14H18N4O3S — CID 95824730

IUPAC2-methyl-6-[(2R)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-2-yl]-1H-pyridin-4-one
SMILESCc1cc(=O)cc([C@H]2CCCN2S(=O)(=O)c2cn(C)cn2)[nH]1
InChIInChI=1S/C14H18N4O3S/c1-10-6-11(19)7-12(16-10)13-4-3-5-18(13)22(20,21)14-8-17(2)9-15-14/h6-9,13H,3-5H2,1-2H3,(H,16,19)/t13-/m1/s1
InChIKeyQHHLMTRCHWQKNQ-CYBMUJFWSA-N
MW322.39 g/mol
LogP0.94
Rot. Bonds3

About 2-methyl-6-[(2R)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-2-yl]-1H-pyridin-4-one

2-methyl-6-[(2R)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-2-yl]-1H-pyridin-4-one (PubChem CID 95824730) has the molecular formula C14H18N4O3S and a molecular weight of 322.39 g/mol. Its IUPAC name is 2-methyl-6-[(2R)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-2-yl]-1H-pyridin-4-one.

Molecular Properties

Compound Name2-methyl-6-[(2R)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-2-yl]-1H-pyridin-4-one
PubChem CID95824730
Molecular FormulaC14H18N4O3S
Molecular Weight322.39 g/mol
Exact Mass322.11
IUPAC Name2-methyl-6-[(2R)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-2-yl]-1H-pyridin-4-one
SMILESCc1cc(=O)cc([C@H]2CCCN2S(=O)(=O)c2cn(C)cn2)[nH]1
InChIInChI=1S/C14H18N4O3S/c1-10-6-11(19)7-12(16-10)13-4-3-5-18(13)22(20,21)14-8-17(2)9-15-14/h6-9,13H,3-5H2,1-2H3,(H,16,19)/t13-/m1/s1
InChIKeyQHHLMTRCHWQKNQ-CYBMUJFWSA-N
XLogP0.94
TPSA88.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-5-[1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-2-yl]-1H-pyrazol-3-one
CID 110257196
5-methyl-2-[(2S)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-2-yl]-1H-imidazole
CID 124999412
1-methyl-4-[(2S)-2-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]sulfonylimidazole
CID 95824678
5-methyl-3-[1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-2-yl]-1,2,4-oxadiazole
CID 110271194
N,2-dimethyl-6-[(2R)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-2-yl]pyrimidin-4-amine
CID 124998979
2-[1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-2-yl]-3H-quinazolin-4-one
CID 137209425
1-(1-methylimidazol-4-yl)sulfonyl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine
CID 71997276
(2S)-1-(1-methylimidazol-4-yl)sulfonyl-2-(4-methyl-1,2,4-triazol-3-yl)piperidine
CID 95824716
4-[(4-fluorophenyl)methyl]-2-methyl-6-[(2R)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-2-yl]pyridine
CID 92617111
N,2-dimethyl-6-[(2R)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-2-yl]pyridine-3-carboxamide
CID 92625334
2-[(2S)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-2-yl]-1,3-benzothiazole
CID 125001964
2-[(3-fluorophenyl)methyl]-6-[(2S)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-2-yl]pyridine
CID 95818487

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[(2R)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-2-yl]-1H-pyridin-4-one?
The IUPAC name of 2-methyl-6-[(2R)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-2-yl]-1H-pyridin-4-one (CID 95824730) is 2-methyl-6-[(2R)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-2-yl]-1H-pyridin-4-one.
What is the SMILES notation for 2-methyl-6-[(2R)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-2-yl]-1H-pyridin-4-one?
The canonical SMILES for 2-methyl-6-[(2R)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-2-yl]-1H-pyridin-4-one is Cc1cc(=O)cc([C@H]2CCCN2S(=O)(=O)c2cn(C)cn2)[nH]1.
What is the InChIKey of 2-methyl-6-[(2R)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-2-yl]-1H-pyridin-4-one?
The InChIKey is QHHLMTRCHWQKNQ-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H18N4O3S/c1-10-6-11(19)7-12(16-10)13-4-3-5-18(13)22(20,21)14-8-17(2)9-15-14/h6-9,13H,3-5H2,1-2H3,(H,16,19)/t13-/m1/s1.
What are the key properties of 2-methyl-6-[(2R)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-2-yl]-1H-pyridin-4-one?
2-methyl-6-[(2R)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-2-yl]-1H-pyridin-4-one has a molecular weight of 322.39 g/mol, XLogP of 0.94, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[(2R)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-2-yl]-1H-pyridin-4-one is sourced from PubChem (CID 95824730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).