[(3R)-1-[3-(2-methyl-6-oxo-1-pyridinyl)propanoyl]pyrrolidin-3-yl]methanesulfonamide

C14H21N3O4S — CID 126451013

IUPAC[(3R)-1-[3-(2-methyl-6-oxo-1-pyridinyl)propanoyl]pyrrolidin-3-yl]methanesulfonamide
SMILESCc1cccc(=O)n1CCC(=O)N1CC[C@@H](CS(N)(=O)=O)C1
InChIInChI=1S/C14H21N3O4S/c1-11-3-2-4-14(19)17(11)8-6-13(18)16-7-5-12(9-16)10-22(15,20)21/h2-4,12H,5-10H2,1H3,(H2,15,20,21)/t12-/m1/s1
InChIKeyMFWPQIKPZUKESE-GFCCVEGCSA-N
MW327.41 g/mol
LogP-0.32
Rot. Bonds5

About [(3R)-1-[3-(2-methyl-6-oxo-1-pyridinyl)propanoyl]pyrrolidin-3-yl]methanesulfonamide

[(3R)-1-[3-(2-methyl-6-oxo-1-pyridinyl)propanoyl]pyrrolidin-3-yl]methanesulfonamide (PubChem CID 126451013) has the molecular formula C14H21N3O4S and a molecular weight of 327.41 g/mol. Its IUPAC name is [(3R)-1-[3-(2-methyl-6-oxo-1-pyridinyl)propanoyl]pyrrolidin-3-yl]methanesulfonamide.

Molecular Properties

Compound Name[(3R)-1-[3-(2-methyl-6-oxo-1-pyridinyl)propanoyl]pyrrolidin-3-yl]methanesulfonamide
PubChem CID126451013
Molecular FormulaC14H21N3O4S
Molecular Weight327.41 g/mol
Exact Mass327.13
IUPAC Name[(3R)-1-[3-(2-methyl-6-oxo-1-pyridinyl)propanoyl]pyrrolidin-3-yl]methanesulfonamide
SMILESCc1cccc(=O)n1CCC(=O)N1CC[C@@H](CS(N)(=O)=O)C1
InChIInChI=1S/C14H21N3O4S/c1-11-3-2-4-14(19)17(11)8-6-13(18)16-7-5-12(9-16)10-22(15,20)21/h2-4,12H,5-10H2,1H3,(H2,15,20,21)/t12-/m1/s1
InChIKeyMFWPQIKPZUKESE-GFCCVEGCSA-N
XLogP-0.32
TPSA102.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 5-0.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-methyl-1-[3-oxo-3-[3-(pyridin-3-ylmethyl)pyrrolidin-1-yl]propyl]pyridin-2-one
CID 166616877
1-[3-[(3S,4R)-3-amino-4-propylpyrrolidin-1-yl]-3-oxopropyl]-6-methylpyridin-2-one
CID 133121133
1-[(3R,4R)-4-hydroxy-1-[3-(2-methyl-6-oxo-1-pyridinyl)propanoyl]pyrrolidin-3-yl]-N,N-dimethylmethanesulfonamide
CID 157017882
[1-[3-[2-(hydroxymethyl)benzimidazol-1-yl]propanoyl]pyrrolidin-3-yl]methanesulfonamide
CID 118783915
1-[[1-[3-(2-methyl-6-oxo-1-pyridinyl)propanoyl]piperidin-3-yl]methyl]triazole-4-carboxylic acid
CID 56723128
[1-[3-[4-(dimethylamino)phenyl]propanoyl]pyrrolidin-3-yl]methanesulfonamide
CID 118795576
6-methyl-1-[3-oxo-3-(3-phenylmethoxypiperidin-1-yl)propyl]pyridin-2-one
CID 74232921
[(3R)-1-[2-(2,3-dihydro-1H-inden-2-yl)acetyl]pyrrolidin-3-yl]methanesulfonamide
CID 124847487
[(3S)-1-[4-(4-fluorophenyl)-4-oxobutanoyl]pyrrolidin-3-yl]methanesulfonamide
CID 125163683
[(3R)-1-[4-(5-methylthiophen-2-yl)butanoyl]piperidin-3-yl]methanesulfonamide
CID 96560950
2-methyl-4-[(3R)-1-[3-(2-methyl-6-oxo-1-pyridinyl)propanoyl]piperidin-3-yl]-1H-pyrimidin-6-one
CID 136804333
[1-[1-(difluoromethyl)-5-methylpyrrole-2-carbonyl]pyrrolidin-3-yl]methanesulfonamide
CID 118760689

Frequently Asked Questions

What is the IUPAC name of [(3R)-1-[3-(2-methyl-6-oxo-1-pyridinyl)propanoyl]pyrrolidin-3-yl]methanesulfonamide?
The IUPAC name of [(3R)-1-[3-(2-methyl-6-oxo-1-pyridinyl)propanoyl]pyrrolidin-3-yl]methanesulfonamide (CID 126451013) is [(3R)-1-[3-(2-methyl-6-oxo-1-pyridinyl)propanoyl]pyrrolidin-3-yl]methanesulfonamide.
What is the SMILES notation for [(3R)-1-[3-(2-methyl-6-oxo-1-pyridinyl)propanoyl]pyrrolidin-3-yl]methanesulfonamide?
The canonical SMILES for [(3R)-1-[3-(2-methyl-6-oxo-1-pyridinyl)propanoyl]pyrrolidin-3-yl]methanesulfonamide is Cc1cccc(=O)n1CCC(=O)N1CC[C@@H](CS(N)(=O)=O)C1.
What is the InChIKey of [(3R)-1-[3-(2-methyl-6-oxo-1-pyridinyl)propanoyl]pyrrolidin-3-yl]methanesulfonamide?
The InChIKey is MFWPQIKPZUKESE-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H21N3O4S/c1-11-3-2-4-14(19)17(11)8-6-13(18)16-7-5-12(9-16)10-22(15,20)21/h2-4,12H,5-10H2,1H3,(H2,15,20,21)/t12-/m1/s1.
What are the key properties of [(3R)-1-[3-(2-methyl-6-oxo-1-pyridinyl)propanoyl]pyrrolidin-3-yl]methanesulfonamide?
[(3R)-1-[3-(2-methyl-6-oxo-1-pyridinyl)propanoyl]pyrrolidin-3-yl]methanesulfonamide has a molecular weight of 327.41 g/mol, XLogP of -0.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1-[3-(2-methyl-6-oxo-1-pyridinyl)propanoyl]pyrrolidin-3-yl]methanesulfonamide is sourced from PubChem (CID 126451013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).