N-[(3S,4R)-1-[3-(2-methyl-6-oxo-1-pyridinyl)propanoyl]-4-propan-2-ylpyrrolidin-3-yl]methanesulfonamide

C17H27N3O4S — CID 72871795

IUPACN-[(3S,4R)-1-[3-(2-methyl-6-oxo-1-pyridinyl)propanoyl]-4-propan-2-ylpyrrolidin-3-yl]methanesulfonamide
SMILESCc1cccc(=O)n1CCC(=O)N1C[C@@H](NS(C)(=O)=O)[C@H](C(C)C)C1
InChIInChI=1S/C17H27N3O4S/c1-12(2)14-10-19(11-15(14)18-25(4,23)24)16(21)8-9-20-13(3)6-5-7-17(20)22/h5-7,12,14-15,18H,8-11H2,1-4H3/t14-,15+/m0/s1
InChIKeyJSTLRVUUKSMCBM-LSDHHAIUSA-N
MW369.49 g/mol
LogP0.58
Rot. Bonds6

About N-[(3S,4R)-1-[3-(2-methyl-6-oxo-1-pyridinyl)propanoyl]-4-propan-2-ylpyrrolidin-3-yl]methanesulfonamide

N-[(3S,4R)-1-[3-(2-methyl-6-oxo-1-pyridinyl)propanoyl]-4-propan-2-ylpyrrolidin-3-yl]methanesulfonamide (PubChem CID 72871795) has the molecular formula C17H27N3O4S and a molecular weight of 369.49 g/mol. Its IUPAC name is N-[(3S,4R)-1-[3-(2-methyl-6-oxo-1-pyridinyl)propanoyl]-4-propan-2-ylpyrrolidin-3-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[(3S,4R)-1-[3-(2-methyl-6-oxo-1-pyridinyl)propanoyl]-4-propan-2-ylpyrrolidin-3-yl]methanesulfonamide
PubChem CID72871795
Molecular FormulaC17H27N3O4S
Molecular Weight369.49 g/mol
Exact Mass369.17
IUPAC NameN-[(3S,4R)-1-[3-(2-methyl-6-oxo-1-pyridinyl)propanoyl]-4-propan-2-ylpyrrolidin-3-yl]methanesulfonamide
SMILESCc1cccc(=O)n1CCC(=O)N1C[C@@H](NS(C)(=O)=O)[C@H](C(C)C)C1
InChIInChI=1S/C17H27N3O4S/c1-12(2)14-10-19(11-15(14)18-25(4,23)24)16(21)8-9-20-13(3)6-5-7-17(20)22/h5-7,12,14-15,18H,8-11H2,1-4H3/t14-,15+/m0/s1
InChIKeyJSTLRVUUKSMCBM-LSDHHAIUSA-N
XLogP0.58
TPSA88.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-1-[3-(2-methyl-6-oxo-1-pyridinyl)propanoyl]-4-propan-2-ylpyrrolidin-3-yl]methanesulfonamide?
The IUPAC name of N-[(3S,4R)-1-[3-(2-methyl-6-oxo-1-pyridinyl)propanoyl]-4-propan-2-ylpyrrolidin-3-yl]methanesulfonamide (CID 72871795) is N-[(3S,4R)-1-[3-(2-methyl-6-oxo-1-pyridinyl)propanoyl]-4-propan-2-ylpyrrolidin-3-yl]methanesulfonamide.
What is the SMILES notation for N-[(3S,4R)-1-[3-(2-methyl-6-oxo-1-pyridinyl)propanoyl]-4-propan-2-ylpyrrolidin-3-yl]methanesulfonamide?
The canonical SMILES for N-[(3S,4R)-1-[3-(2-methyl-6-oxo-1-pyridinyl)propanoyl]-4-propan-2-ylpyrrolidin-3-yl]methanesulfonamide is Cc1cccc(=O)n1CCC(=O)N1C[C@@H](NS(C)(=O)=O)[C@H](C(C)C)C1.
What is the InChIKey of N-[(3S,4R)-1-[3-(2-methyl-6-oxo-1-pyridinyl)propanoyl]-4-propan-2-ylpyrrolidin-3-yl]methanesulfonamide?
The InChIKey is JSTLRVUUKSMCBM-LSDHHAIUSA-N. The full InChI is InChI=1S/C17H27N3O4S/c1-12(2)14-10-19(11-15(14)18-25(4,23)24)16(21)8-9-20-13(3)6-5-7-17(20)22/h5-7,12,14-15,18H,8-11H2,1-4H3/t14-,15+/m0/s1.
What are the key properties of N-[(3S,4R)-1-[3-(2-methyl-6-oxo-1-pyridinyl)propanoyl]-4-propan-2-ylpyrrolidin-3-yl]methanesulfonamide?
N-[(3S,4R)-1-[3-(2-methyl-6-oxo-1-pyridinyl)propanoyl]-4-propan-2-ylpyrrolidin-3-yl]methanesulfonamide has a molecular weight of 369.49 g/mol, XLogP of 0.58, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-1-[3-(2-methyl-6-oxo-1-pyridinyl)propanoyl]-4-propan-2-ylpyrrolidin-3-yl]methanesulfonamide is sourced from PubChem (CID 72871795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).