N-[(3S,4R)-1-(1-ethyl-2-oxopyridine-4-carbonyl)-4-propan-2-ylpyrrolidin-3-yl]methanesulfonamide

C16H25N3O4S — CID 70722712

IUPACN-[(3S,4R)-1-(1-ethyl-2-oxopyridine-4-carbonyl)-4-propan-2-ylpyrrolidin-3-yl]methanesulfonamide
SMILESCCn1ccc(C(=O)N2C[C@@H](NS(C)(=O)=O)[C@H](C(C)C)C2)cc1=O
InChIInChI=1S/C16H25N3O4S/c1-5-18-7-6-12(8-15(18)20)16(21)19-9-13(11(2)3)14(10-19)17-24(4,22)23/h6-8,11,13-14,17H,5,9-10H2,1-4H3/t13-,14+/m0/s1
InChIKeyUPKANEVEXJPPPV-UONOGXRCSA-N
MW355.46 g/mol
LogP0.51
Rot. Bonds5

About N-[(3S,4R)-1-(1-ethyl-2-oxopyridine-4-carbonyl)-4-propan-2-ylpyrrolidin-3-yl]methanesulfonamide

N-[(3S,4R)-1-(1-ethyl-2-oxopyridine-4-carbonyl)-4-propan-2-ylpyrrolidin-3-yl]methanesulfonamide (PubChem CID 70722712) has the molecular formula C16H25N3O4S and a molecular weight of 355.46 g/mol. Its IUPAC name is N-[(3S,4R)-1-(1-ethyl-2-oxopyridine-4-carbonyl)-4-propan-2-ylpyrrolidin-3-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[(3S,4R)-1-(1-ethyl-2-oxopyridine-4-carbonyl)-4-propan-2-ylpyrrolidin-3-yl]methanesulfonamide
PubChem CID70722712
Molecular FormulaC16H25N3O4S
Molecular Weight355.46 g/mol
Exact Mass355.16
IUPAC NameN-[(3S,4R)-1-(1-ethyl-2-oxopyridine-4-carbonyl)-4-propan-2-ylpyrrolidin-3-yl]methanesulfonamide
SMILESCCn1ccc(C(=O)N2C[C@@H](NS(C)(=O)=O)[C@H](C(C)C)C2)cc1=O
InChIInChI=1S/C16H25N3O4S/c1-5-18-7-6-12(8-15(18)20)16(21)19-9-13(11(2)3)14(10-19)17-24(4,22)23/h6-8,11,13-14,17H,5,9-10H2,1-4H3/t13-,14+/m0/s1
InChIKeyUPKANEVEXJPPPV-UONOGXRCSA-N
XLogP0.51
TPSA88.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 50.51
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-(1-ethyl-2-oxopyridine-4-carbonyl)-4-propan-2-ylpyrrolidin-3-yl]methanesulfonamide?
The IUPAC name of N-[(3S,4R)-1-(1-ethyl-2-oxopyridine-4-carbonyl)-4-propan-2-ylpyrrolidin-3-yl]methanesulfonamide (CID 70722712) is N-[(3S,4R)-1-(1-ethyl-2-oxopyridine-4-carbonyl)-4-propan-2-ylpyrrolidin-3-yl]methanesulfonamide.
What is the SMILES notation for N-[(3S,4R)-1-(1-ethyl-2-oxopyridine-4-carbonyl)-4-propan-2-ylpyrrolidin-3-yl]methanesulfonamide?
The canonical SMILES for N-[(3S,4R)-1-(1-ethyl-2-oxopyridine-4-carbonyl)-4-propan-2-ylpyrrolidin-3-yl]methanesulfonamide is CCn1ccc(C(=O)N2C[C@@H](NS(C)(=O)=O)[C@H](C(C)C)C2)cc1=O.
What is the InChIKey of N-[(3S,4R)-1-(1-ethyl-2-oxopyridine-4-carbonyl)-4-propan-2-ylpyrrolidin-3-yl]methanesulfonamide?
The InChIKey is UPKANEVEXJPPPV-UONOGXRCSA-N. The full InChI is InChI=1S/C16H25N3O4S/c1-5-18-7-6-12(8-15(18)20)16(21)19-9-13(11(2)3)14(10-19)17-24(4,22)23/h6-8,11,13-14,17H,5,9-10H2,1-4H3/t13-,14+/m0/s1.
What are the key properties of N-[(3S,4R)-1-(1-ethyl-2-oxopyridine-4-carbonyl)-4-propan-2-ylpyrrolidin-3-yl]methanesulfonamide?
N-[(3S,4R)-1-(1-ethyl-2-oxopyridine-4-carbonyl)-4-propan-2-ylpyrrolidin-3-yl]methanesulfonamide has a molecular weight of 355.46 g/mol, XLogP of 0.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-1-(1-ethyl-2-oxopyridine-4-carbonyl)-4-propan-2-ylpyrrolidin-3-yl]methanesulfonamide is sourced from PubChem (CID 70722712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).