(2R,3R)-N-[(1-ethylsulfanylcyclopropyl)methyl]-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxamide

C17H23N3O2S — CID 136584447

IUPAC(2R,3R)-N-[(1-ethylsulfanylcyclopropyl)methyl]-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxamide
SMILESCCSC1(CNC(=O)[C@@H]2CC(=O)N(C)[C@H]2c2cccnc2)CC1
InChIInChI=1S/C17H23N3O2S/c1-3-23-17(6-7-17)11-19-16(22)13-9-14(21)20(2)15(13)12-5-4-8-18-10-12/h4-5,8,10,13,15H,3,6-7,9,11H2,1-2H3,(H,19,22)/t13-,15+/m1/s1
InChIKeyUFVUUIKAPPDTHJ-HIFRSBDPSA-N
MW333.46 g/mol
LogP2.00
Rot. Bonds6

About (2R,3R)-N-[(1-ethylsulfanylcyclopropyl)methyl]-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxamide

(2R,3R)-N-[(1-ethylsulfanylcyclopropyl)methyl]-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxamide (PubChem CID 136584447) has the molecular formula C17H23N3O2S and a molecular weight of 333.46 g/mol. Its IUPAC name is (2R,3R)-N-[(1-ethylsulfanylcyclopropyl)methyl]-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(2R,3R)-N-[(1-ethylsulfanylcyclopropyl)methyl]-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxamide
PubChem CID136584447
Molecular FormulaC17H23N3O2S
Molecular Weight333.46 g/mol
Exact Mass333.15
IUPAC Name(2R,3R)-N-[(1-ethylsulfanylcyclopropyl)methyl]-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxamide
SMILESCCSC1(CNC(=O)[C@@H]2CC(=O)N(C)[C@H]2c2cccnc2)CC1
InChIInChI=1S/C17H23N3O2S/c1-3-23-17(6-7-17)11-19-16(22)13-9-14(21)20(2)15(13)12-5-4-8-18-10-12/h4-5,8,10,13,15H,3,6-7,9,11H2,1-2H3,(H,19,22)/t13-,15+/m1/s1
InChIKeyUFVUUIKAPPDTHJ-HIFRSBDPSA-N
XLogP2.00
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.46
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R,3R)-N-[(1-ethylsulfanylcyclopropyl)methyl]-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

(2S,3S)-N-hexyl-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxamide
CID 97027555
N-(3-aminopropyl)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxamide
CID 175604220
1-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxamide
CID 56806046
methyl (3S)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxylate
CID 58291565
(2R,3R)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxylic acid
CID 671219
(2R)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxylic acid;(3S)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxylic acid
CID 160516256
(2R,3R)-N-(4-ethyl-1,3-thiazol-2-yl)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxamide
CID 95967290
(2S,3R)-N-(3-chlorophenyl)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxamide
CID 95346327
2-[(1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carbonyl)amino]propanoic acid
CID 119348829
(2S,3S)-N-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxamide
CID 135254781
(2S,3R)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxamide
CID 98005945
(2R,3R)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxamide
CID 16744276

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-N-[(1-ethylsulfanylcyclopropyl)methyl]-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxamide?
The IUPAC name of (2R,3R)-N-[(1-ethylsulfanylcyclopropyl)methyl]-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxamide (CID 136584447) is (2R,3R)-N-[(1-ethylsulfanylcyclopropyl)methyl]-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for (2R,3R)-N-[(1-ethylsulfanylcyclopropyl)methyl]-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxamide?
The canonical SMILES for (2R,3R)-N-[(1-ethylsulfanylcyclopropyl)methyl]-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxamide is CCSC1(CNC(=O)[C@@H]2CC(=O)N(C)[C@H]2c2cccnc2)CC1.
What is the InChIKey of (2R,3R)-N-[(1-ethylsulfanylcyclopropyl)methyl]-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxamide?
The InChIKey is UFVUUIKAPPDTHJ-HIFRSBDPSA-N. The full InChI is InChI=1S/C17H23N3O2S/c1-3-23-17(6-7-17)11-19-16(22)13-9-14(21)20(2)15(13)12-5-4-8-18-10-12/h4-5,8,10,13,15H,3,6-7,9,11H2,1-2H3,(H,19,22)/t13-,15+/m1/s1.
What are the key properties of (2R,3R)-N-[(1-ethylsulfanylcyclopropyl)methyl]-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxamide?
(2R,3R)-N-[(1-ethylsulfanylcyclopropyl)methyl]-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxamide has a molecular weight of 333.46 g/mol, XLogP of 2.00, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-N-[(1-ethylsulfanylcyclopropyl)methyl]-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 136584447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).