2-(2-methoxyethoxy)-N-[(3S)-1-methyl-5-oxopyrrolidin-3-yl]pyridine-3-carboxamide

C14H19N3O4 — CID 95290165

IUPAC2-(2-methoxyethoxy)-N-[(3S)-1-methyl-5-oxopyrrolidin-3-yl]pyridine-3-carboxamide
SMILESCOCCOc1ncccc1C(=O)N[C@H]1CC(=O)N(C)C1
InChIInChI=1S/C14H19N3O4/c1-17-9-10(8-12(17)18)16-13(19)11-4-3-5-15-14(11)21-7-6-20-2/h3-5,10H,6-9H2,1-2H3,(H,16,19)/t10-/m0/s1
InChIKeyNYUPBCXJFDLTBL-JTQLQIEISA-N
MW293.32 g/mol
LogP0.07
Rot. Bonds6

About 2-(2-methoxyethoxy)-N-[(3S)-1-methyl-5-oxopyrrolidin-3-yl]pyridine-3-carboxamide

2-(2-methoxyethoxy)-N-[(3S)-1-methyl-5-oxopyrrolidin-3-yl]pyridine-3-carboxamide (PubChem CID 95290165) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is 2-(2-methoxyethoxy)-N-[(3S)-1-methyl-5-oxopyrrolidin-3-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(2-methoxyethoxy)-N-[(3S)-1-methyl-5-oxopyrrolidin-3-yl]pyridine-3-carboxamide
PubChem CID95290165
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC Name2-(2-methoxyethoxy)-N-[(3S)-1-methyl-5-oxopyrrolidin-3-yl]pyridine-3-carboxamide
SMILESCOCCOc1ncccc1C(=O)N[C@H]1CC(=O)N(C)C1
InChIInChI=1S/C14H19N3O4/c1-17-9-10(8-12(17)18)16-13(19)11-4-3-5-15-14(11)21-7-6-20-2/h3-5,10H,6-9H2,1-2H3,(H,16,19)/t10-/m0/s1
InChIKeyNYUPBCXJFDLTBL-JTQLQIEISA-N
XLogP0.07
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethoxy)-N-[(3S)-1-methyl-5-oxopyrrolidin-3-yl]pyridine-3-carboxamide?
The IUPAC name of 2-(2-methoxyethoxy)-N-[(3S)-1-methyl-5-oxopyrrolidin-3-yl]pyridine-3-carboxamide (CID 95290165) is 2-(2-methoxyethoxy)-N-[(3S)-1-methyl-5-oxopyrrolidin-3-yl]pyridine-3-carboxamide.
What is the SMILES notation for 2-(2-methoxyethoxy)-N-[(3S)-1-methyl-5-oxopyrrolidin-3-yl]pyridine-3-carboxamide?
The canonical SMILES for 2-(2-methoxyethoxy)-N-[(3S)-1-methyl-5-oxopyrrolidin-3-yl]pyridine-3-carboxamide is COCCOc1ncccc1C(=O)N[C@H]1CC(=O)N(C)C1.
What is the InChIKey of 2-(2-methoxyethoxy)-N-[(3S)-1-methyl-5-oxopyrrolidin-3-yl]pyridine-3-carboxamide?
The InChIKey is NYUPBCXJFDLTBL-JTQLQIEISA-N. The full InChI is InChI=1S/C14H19N3O4/c1-17-9-10(8-12(17)18)16-13(19)11-4-3-5-15-14(11)21-7-6-20-2/h3-5,10H,6-9H2,1-2H3,(H,16,19)/t10-/m0/s1.
What are the key properties of 2-(2-methoxyethoxy)-N-[(3S)-1-methyl-5-oxopyrrolidin-3-yl]pyridine-3-carboxamide?
2-(2-methoxyethoxy)-N-[(3S)-1-methyl-5-oxopyrrolidin-3-yl]pyridine-3-carboxamide has a molecular weight of 293.32 g/mol, XLogP of 0.07, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethoxy)-N-[(3S)-1-methyl-5-oxopyrrolidin-3-yl]pyridine-3-carboxamide is sourced from PubChem (CID 95290165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).