2-[[1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]methyl]-N-methylpyridine-3-carboxamide

C15H21N3O3 — CID 91828677

IUPAC2-[[1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]methyl]-N-methylpyridine-3-carboxamide
SMILESCNC(=O)c1cccnc1CC1CC(=O)N(CCOC)C1
InChIInChI=1S/C15H21N3O3/c1-16-15(20)12-4-3-5-17-13(12)8-11-9-14(19)18(10-11)6-7-21-2/h3-5,11H,6-10H2,1-2H3,(H,16,20)
InChIKeyKSRMKLASGIDDMY-UHFFFAOYSA-N
MW291.35 g/mol
LogP0.48
Rot. Bonds6

About 2-[[1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]methyl]-N-methylpyridine-3-carboxamide

2-[[1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]methyl]-N-methylpyridine-3-carboxamide (PubChem CID 91828677) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 2-[[1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]methyl]-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-[[1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]methyl]-N-methylpyridine-3-carboxamide
PubChem CID91828677
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name2-[[1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]methyl]-N-methylpyridine-3-carboxamide
SMILESCNC(=O)c1cccnc1CC1CC(=O)N(CCOC)C1
InChIInChI=1S/C15H21N3O3/c1-16-15(20)12-4-3-5-17-13(12)8-11-9-14(19)18(10-11)6-7-21-2/h3-5,11H,6-10H2,1-2H3,(H,16,20)
InChIKeyKSRMKLASGIDDMY-UHFFFAOYSA-N
XLogP0.48
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]methyl]-N-methylpyridine-3-carboxamide?
The IUPAC name of 2-[[1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]methyl]-N-methylpyridine-3-carboxamide (CID 91828677) is 2-[[1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]methyl]-N-methylpyridine-3-carboxamide.
What is the SMILES notation for 2-[[1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]methyl]-N-methylpyridine-3-carboxamide?
The canonical SMILES for 2-[[1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]methyl]-N-methylpyridine-3-carboxamide is CNC(=O)c1cccnc1CC1CC(=O)N(CCOC)C1.
What is the InChIKey of 2-[[1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]methyl]-N-methylpyridine-3-carboxamide?
The InChIKey is KSRMKLASGIDDMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-16-15(20)12-4-3-5-17-13(12)8-11-9-14(19)18(10-11)6-7-21-2/h3-5,11H,6-10H2,1-2H3,(H,16,20).
What are the key properties of 2-[[1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]methyl]-N-methylpyridine-3-carboxamide?
2-[[1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]methyl]-N-methylpyridine-3-carboxamide has a molecular weight of 291.35 g/mol, XLogP of 0.48, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]methyl]-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 91828677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).