1-methyl-N-[(3R,4S)-1-methylsulfonyl-4-propylpyrrolidin-3-yl]-2-oxopyridine-4-carboxamide

C15H23N3O4S — CID 72927676

IUPAC1-methyl-N-[(3R,4S)-1-methylsulfonyl-4-propylpyrrolidin-3-yl]-2-oxopyridine-4-carboxamide
SMILESCCC[C@H]1CN(S(C)(=O)=O)C[C@@H]1NC(=O)c1ccn(C)c(=O)c1
InChIInChI=1S/C15H23N3O4S/c1-4-5-12-9-18(23(3,21)22)10-13(12)16-15(20)11-6-7-17(2)14(19)8-11/h6-8,12-13H,4-5,9-10H2,1-3H3,(H,16,20)/t12-,13-/m0/s1
InChIKeyIJIZJAGDDQEXML-STQMWFEESA-N
MW341.43 g/mol
LogP0.18
Rot. Bonds5

About 1-methyl-N-[(3R,4S)-1-methylsulfonyl-4-propylpyrrolidin-3-yl]-2-oxopyridine-4-carboxamide

1-methyl-N-[(3R,4S)-1-methylsulfonyl-4-propylpyrrolidin-3-yl]-2-oxopyridine-4-carboxamide (PubChem CID 72927676) has the molecular formula C15H23N3O4S and a molecular weight of 341.43 g/mol. Its IUPAC name is 1-methyl-N-[(3R,4S)-1-methylsulfonyl-4-propylpyrrolidin-3-yl]-2-oxopyridine-4-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[(3R,4S)-1-methylsulfonyl-4-propylpyrrolidin-3-yl]-2-oxopyridine-4-carboxamide
PubChem CID72927676
Molecular FormulaC15H23N3O4S
Molecular Weight341.43 g/mol
Exact Mass341.14
IUPAC Name1-methyl-N-[(3R,4S)-1-methylsulfonyl-4-propylpyrrolidin-3-yl]-2-oxopyridine-4-carboxamide
SMILESCCC[C@H]1CN(S(C)(=O)=O)C[C@@H]1NC(=O)c1ccn(C)c(=O)c1
InChIInChI=1S/C15H23N3O4S/c1-4-5-12-9-18(23(3,21)22)10-13(12)16-15(20)11-6-7-17(2)14(19)8-11/h6-8,12-13H,4-5,9-10H2,1-3H3,(H,16,20)/t12-,13-/m0/s1
InChIKeyIJIZJAGDDQEXML-STQMWFEESA-N
XLogP0.18
TPSA88.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-methyl-N-[(3R,4S)-1-methylsulfonyl-4-propylpyrrolidin-3-yl]-2-oxopyridine-4-carboxamide with MolForge

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Related Compounds

1-methyl-2-oxo-N-(2-propylcyclopropyl)pyridine-4-carboxamide
CID 103713550
1,6-dimethyl-N-[(3R,4S)-1-methylsulfonyl-4-propylpyrrolidin-3-yl]-2-oxopyridine-3-carboxamide
CID 72862071
N-[2-(chloromethyl)cyclopentyl]-1-methyl-2-oxopyridine-4-carboxamide
CID 106365913
2-(dimethylamino)-N-[(3S,4R)-1-methylsulfonyl-4-propylpyrrolidin-3-yl]pyridine-3-carboxamide
CID 133131844
1-methyl-N-(3-methylcyclopentyl)-2-oxopyridine-4-carboxamide
CID 114549550
N-[(3S,4R)-4-[(dimethylamino)methyl]-1-methylsulfonylpyrrolidin-3-yl]-3,4-difluorobenzamide
CID 91910989
2-(3-methyl-1,2-oxazol-5-yl)-N-[(3R,4S)-1-methylsulfonyl-4-propylpyrrolidin-3-yl]acetamide
CID 72939147
N-(1,3-dihydroxypropan-2-yl)-1-methyl-2-oxopyridine-4-carboxamide
CID 65314932
N-cyclooctyl-1-methyl-2-oxopyridine-4-carboxamide
CID 103610769
N-[(3S,4R)-4-[(dimethylamino)methyl]-1-methylsulfonylpyrrolidin-3-yl]-4-ethoxybenzamide
CID 91923095
N-[(3S,4R)-4-[(dimethylamino)methyl]-1-methylsulfonylpyrrolidin-3-yl]furan-3-carboxamide
CID 91923090
N-butyl-1-methyl-2-oxopyridine-4-carboxamide
CID 35555679

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(3R,4S)-1-methylsulfonyl-4-propylpyrrolidin-3-yl]-2-oxopyridine-4-carboxamide?
The IUPAC name of 1-methyl-N-[(3R,4S)-1-methylsulfonyl-4-propylpyrrolidin-3-yl]-2-oxopyridine-4-carboxamide (CID 72927676) is 1-methyl-N-[(3R,4S)-1-methylsulfonyl-4-propylpyrrolidin-3-yl]-2-oxopyridine-4-carboxamide.
What is the SMILES notation for 1-methyl-N-[(3R,4S)-1-methylsulfonyl-4-propylpyrrolidin-3-yl]-2-oxopyridine-4-carboxamide?
The canonical SMILES for 1-methyl-N-[(3R,4S)-1-methylsulfonyl-4-propylpyrrolidin-3-yl]-2-oxopyridine-4-carboxamide is CCC[C@H]1CN(S(C)(=O)=O)C[C@@H]1NC(=O)c1ccn(C)c(=O)c1.
What is the InChIKey of 1-methyl-N-[(3R,4S)-1-methylsulfonyl-4-propylpyrrolidin-3-yl]-2-oxopyridine-4-carboxamide?
The InChIKey is IJIZJAGDDQEXML-STQMWFEESA-N. The full InChI is InChI=1S/C15H23N3O4S/c1-4-5-12-9-18(23(3,21)22)10-13(12)16-15(20)11-6-7-17(2)14(19)8-11/h6-8,12-13H,4-5,9-10H2,1-3H3,(H,16,20)/t12-,13-/m0/s1.
What are the key properties of 1-methyl-N-[(3R,4S)-1-methylsulfonyl-4-propylpyrrolidin-3-yl]-2-oxopyridine-4-carboxamide?
1-methyl-N-[(3R,4S)-1-methylsulfonyl-4-propylpyrrolidin-3-yl]-2-oxopyridine-4-carboxamide has a molecular weight of 341.43 g/mol, XLogP of 0.18, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(3R,4S)-1-methylsulfonyl-4-propylpyrrolidin-3-yl]-2-oxopyridine-4-carboxamide is sourced from PubChem (CID 72927676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).