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

C16H23N3O3 — CID 124754907

IUPACN-[[(3R)-1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]methyl]-2,6-dimethylpyridine-3-carboxamide
SMILESCOCCN1C[C@@H](CNC(=O)c2ccc(C)nc2C)CC1=O
InChIInChI=1S/C16H23N3O3/c1-11-4-5-14(12(2)18-11)16(21)17-9-13-8-15(20)19(10-13)6-7-22-3/h4-5,13H,6-10H2,1-3H3,(H,17,21)/t13-/m1/s1
InChIKeyPERIYOLOTUHSLA-CYBMUJFWSA-N
MW305.38 g/mol
LogP0.92
Rot. Bonds6

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

N-[[(3R)-1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]methyl]-2,6-dimethylpyridine-3-carboxamide (PubChem CID 124754907) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is N-[[(3R)-1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]methyl]-2,6-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[(3R)-1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]methyl]-2,6-dimethylpyridine-3-carboxamide
PubChem CID124754907
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC NameN-[[(3R)-1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]methyl]-2,6-dimethylpyridine-3-carboxamide
SMILESCOCCN1C[C@@H](CNC(=O)c2ccc(C)nc2C)CC1=O
InChIInChI=1S/C16H23N3O3/c1-11-4-5-14(12(2)18-11)16(21)17-9-13-8-15(20)19(10-13)6-7-22-3/h4-5,13H,6-10H2,1-3H3,(H,17,21)/t13-/m1/s1
InChIKeyPERIYOLOTUHSLA-CYBMUJFWSA-N
XLogP0.92
TPSA71.53 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 ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]methyl]-2,6-dimethylpyridine-3-carboxamide?
The IUPAC name of N-[[(3R)-1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]methyl]-2,6-dimethylpyridine-3-carboxamide (CID 124754907) is N-[[(3R)-1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]methyl]-2,6-dimethylpyridine-3-carboxamide.
What is the SMILES notation for N-[[(3R)-1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]methyl]-2,6-dimethylpyridine-3-carboxamide?
The canonical SMILES for N-[[(3R)-1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]methyl]-2,6-dimethylpyridine-3-carboxamide is COCCN1C[C@@H](CNC(=O)c2ccc(C)nc2C)CC1=O.
What is the InChIKey of N-[[(3R)-1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]methyl]-2,6-dimethylpyridine-3-carboxamide?
The InChIKey is PERIYOLOTUHSLA-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-11-4-5-14(12(2)18-11)16(21)17-9-13-8-15(20)19(10-13)6-7-22-3/h4-5,13H,6-10H2,1-3H3,(H,17,21)/t13-/m1/s1.
What are the key properties of N-[[(3R)-1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]methyl]-2,6-dimethylpyridine-3-carboxamide?
N-[[(3R)-1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]methyl]-2,6-dimethylpyridine-3-carboxamide has a molecular weight of 305.38 g/mol, XLogP of 0.92, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]methyl]-2,6-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 124754907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).