1-methylsulfonyl-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-2-carboxamide

C12H15N3O4S — CID 110387791

IUPAC1-methylsulfonyl-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-2-carboxamide
SMILESCS(=O)(=O)N1C(=O)CCC1C(=O)NCc1ccccn1
InChIInChI=1S/C12H15N3O4S/c1-20(18,19)15-10(5-6-11(15)16)12(17)14-8-9-4-2-3-7-13-9/h2-4,7,10H,5-6,8H2,1H3,(H,14,17)
InChIKeyMTOPIRZLWBOMTB-UHFFFAOYSA-N
MW297.34 g/mol
LogP-0.35
Rot. Bonds4

About 1-methylsulfonyl-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-2-carboxamide

1-methylsulfonyl-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-2-carboxamide (PubChem CID 110387791) has the molecular formula C12H15N3O4S and a molecular weight of 297.34 g/mol. Its IUPAC name is 1-methylsulfonyl-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-methylsulfonyl-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-2-carboxamide
PubChem CID110387791
Molecular FormulaC12H15N3O4S
Molecular Weight297.34 g/mol
Exact Mass297.08
IUPAC Name1-methylsulfonyl-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-2-carboxamide
SMILESCS(=O)(=O)N1C(=O)CCC1C(=O)NCc1ccccn1
InChIInChI=1S/C12H15N3O4S/c1-20(18,19)15-10(5-6-11(15)16)12(17)14-8-9-4-2-3-7-13-9/h2-4,7,10H,5-6,8H2,1H3,(H,14,17)
InChIKeyMTOPIRZLWBOMTB-UHFFFAOYSA-N
XLogP-0.35
TPSA96.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.34
LogP ≤ 5-0.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-2-carboxamide
CID 110687259
5-oxo-N-(pyridin-2-ylmethyl)-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide
CID 56730999
1-methylsulfonyl-5-oxo-N-propylpyrrolidine-2-carboxamide
CID 110387753
N-(2-methoxyethyl)-1-methylsulfonyl-5-oxopyrrolidine-2-carboxamide
CID 110387766
(2S,3aS,7aR)-1-(benzenesulfonyl)-N-(pyridin-2-ylmethyl)-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxamide
CID 124734521
(2R,3R)-2-(2-chlorophenyl)-1-ethyl-6-oxo-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 110086759
(2R,3R)-1-ethyl-2-(2-fluorophenyl)-6-oxo-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 110086760
(3aR,6R,7aR)-4-methylsulfonyl-N-(pyridin-2-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide
CID 97387379
(2S)-1-methylsulfonyl-N-(3-pyridin-2-ylpropyl)pyrrolidine-2-carboxamide
CID 118792152
4-N-cyclopropyl-1-N-(pyridin-2-ylmethyl)cyclohexane-1,4-dicarboxamide
CID 109144683
1-(5-chlorothiophen-2-yl)sulfonyl-N-(pyridin-2-ylmethyl)pyrrolidine-2-carboxamide
CID 24672059
2-[cycloheptyl(methylsulfonyl)amino]-N-(pyridin-2-ylmethyl)acetamide
CID 113153062

Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonyl-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-methylsulfonyl-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-2-carboxamide (CID 110387791) is 1-methylsulfonyl-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-methylsulfonyl-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-methylsulfonyl-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-2-carboxamide is CS(=O)(=O)N1C(=O)CCC1C(=O)NCc1ccccn1.
What is the InChIKey of 1-methylsulfonyl-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-2-carboxamide?
The InChIKey is MTOPIRZLWBOMTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O4S/c1-20(18,19)15-10(5-6-11(15)16)12(17)14-8-9-4-2-3-7-13-9/h2-4,7,10H,5-6,8H2,1H3,(H,14,17).
What are the key properties of 1-methylsulfonyl-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-2-carboxamide?
1-methylsulfonyl-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-2-carboxamide has a molecular weight of 297.34 g/mol, XLogP of -0.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonyl-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 110387791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).