2-[[(3S)-1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]methyl]-5,6-dimethylpyridine-3-carboxamide

C16H23N3O3 — CID 124846696

IUPAC2-[[(3S)-1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]methyl]-5,6-dimethylpyridine-3-carboxamide
SMILESCOCCN1C[C@@H](Cc2nc(C)c(C)cc2C(N)=O)CC1=O
InChIInChI=1S/C16H23N3O3/c1-10-6-13(16(17)21)14(18-11(10)2)7-12-8-15(20)19(9-12)4-5-22-3/h6,12H,4-5,7-9H2,1-3H3,(H2,17,21)/t12-/m0/s1
InChIKeyJDQXFQYULUQWEX-LBPRGKRZSA-N
MW305.38 g/mol
LogP0.83
Rot. Bonds6

About 2-[[(3S)-1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]methyl]-5,6-dimethylpyridine-3-carboxamide

2-[[(3S)-1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]methyl]-5,6-dimethylpyridine-3-carboxamide (PubChem CID 124846696) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is 2-[[(3S)-1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]methyl]-5,6-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-[[(3S)-1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]methyl]-5,6-dimethylpyridine-3-carboxamide
PubChem CID124846696
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC Name2-[[(3S)-1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]methyl]-5,6-dimethylpyridine-3-carboxamide
SMILESCOCCN1C[C@@H](Cc2nc(C)c(C)cc2C(N)=O)CC1=O
InChIInChI=1S/C16H23N3O3/c1-10-6-13(16(17)21)14(18-11(10)2)7-12-8-15(20)19(9-12)4-5-22-3/h6,12H,4-5,7-9H2,1-3H3,(H2,17,21)/t12-/m0/s1
InChIKeyJDQXFQYULUQWEX-LBPRGKRZSA-N
XLogP0.83
TPSA85.52 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[[(3S)-1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]methyl]-5,6-dimethylpyridine-3-carboxamide with MolForge

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Related Compounds

2-[[1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]methyl]-N-methylpyridine-3-carboxamide
CID 91828677
4-[(3,5-dimethylphenyl)methyl]-1-(2-methoxyethyl)pyrrolidin-2-one
CID 91828980
(4R)-4-[(5-ethyl-2-methylpyrimidin-4-yl)methyl]-1-(2-methoxyethyl)pyrrolidin-2-one
CID 124757873
4-[(4,6-dimethoxypyrimidin-2-yl)methyl]-1-(2-methoxyethyl)pyrrolidin-2-one
CID 91831533
(4S)-1-(2-methoxyethyl)-4-[(4-methyl-2-pyridinyl)methyl]pyrrolidin-2-one
CID 124757294
(4S)-4-[[3-(hydroxymethyl)-7-methylquinolin-2-yl]methyl]-1-(2-methoxyethyl)pyrrolidin-2-one
CID 124757291
(4S)-4-[[3-(hydroxymethyl)quinolin-2-yl]methyl]-1-(2-methoxyethyl)pyrrolidin-2-one
CID 124758510
(4R)-4-[(6-aminopyrimidin-4-yl)methyl]-1-(2-methoxyethyl)pyrrolidin-2-one
CID 124755869
1-(2-methoxyethyl)-4-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]pyrrolidin-2-one
CID 91843390
(4S)-1-(2-methoxyethyl)-4-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]pyrrolidin-2-one
CID 124849414
1-(2-methoxyethyl)-4-[(2-methylquinolin-6-yl)methyl]pyrrolidin-2-one
CID 91782207
(4R)-4-[(7-fluoro-4-methylquinolin-2-yl)methyl]-1-(2-methoxyethyl)pyrrolidin-2-one
CID 124750402

Frequently Asked Questions

What is the IUPAC name of 2-[[(3S)-1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]methyl]-5,6-dimethylpyridine-3-carboxamide?
The IUPAC name of 2-[[(3S)-1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]methyl]-5,6-dimethylpyridine-3-carboxamide (CID 124846696) is 2-[[(3S)-1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]methyl]-5,6-dimethylpyridine-3-carboxamide.
What is the SMILES notation for 2-[[(3S)-1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]methyl]-5,6-dimethylpyridine-3-carboxamide?
The canonical SMILES for 2-[[(3S)-1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]methyl]-5,6-dimethylpyridine-3-carboxamide is COCCN1C[C@@H](Cc2nc(C)c(C)cc2C(N)=O)CC1=O.
What is the InChIKey of 2-[[(3S)-1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]methyl]-5,6-dimethylpyridine-3-carboxamide?
The InChIKey is JDQXFQYULUQWEX-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-10-6-13(16(17)21)14(18-11(10)2)7-12-8-15(20)19(9-12)4-5-22-3/h6,12H,4-5,7-9H2,1-3H3,(H2,17,21)/t12-/m0/s1.
What are the key properties of 2-[[(3S)-1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]methyl]-5,6-dimethylpyridine-3-carboxamide?
2-[[(3S)-1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]methyl]-5,6-dimethylpyridine-3-carboxamide has a molecular weight of 305.38 g/mol, XLogP of 0.83, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3S)-1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]methyl]-5,6-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 124846696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).