N-[6-(2-methoxyethoxy)-3-pyridinyl]pyrrolidine-3-carboxamide

C13H19N3O3 — CID 55150610

IUPACN-[6-(2-methoxyethoxy)-3-pyridinyl]pyrrolidine-3-carboxamide
SMILESCOCCOc1ccc(NC(=O)C2CCNC2)cn1
InChIInChI=1S/C13H19N3O3/c1-18-6-7-19-12-3-2-11(9-15-12)16-13(17)10-4-5-14-8-10/h2-3,9-10,14H,4-8H2,1H3,(H,16,17)
InChIKeyYAPDARIASWVMSK-UHFFFAOYSA-N
MW265.31 g/mol
LogP0.65
Rot. Bonds6

About N-[6-(2-methoxyethoxy)-3-pyridinyl]pyrrolidine-3-carboxamide

N-[6-(2-methoxyethoxy)-3-pyridinyl]pyrrolidine-3-carboxamide (PubChem CID 55150610) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is N-[6-(2-methoxyethoxy)-3-pyridinyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[6-(2-methoxyethoxy)-3-pyridinyl]pyrrolidine-3-carboxamide
PubChem CID55150610
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC NameN-[6-(2-methoxyethoxy)-3-pyridinyl]pyrrolidine-3-carboxamide
SMILESCOCCOc1ccc(NC(=O)C2CCNC2)cn1
InChIInChI=1S/C13H19N3O3/c1-18-6-7-19-12-3-2-11(9-15-12)16-13(17)10-4-5-14-8-10/h2-3,9-10,14H,4-8H2,1H3,(H,16,17)
InChIKeyYAPDARIASWVMSK-UHFFFAOYSA-N
XLogP0.65
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 50.65
H-Bond Donors ≤ 52
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 N-[6-(2-methoxyethoxy)-3-pyridinyl]pyrrolidine-3-carboxamide?
The IUPAC name of N-[6-(2-methoxyethoxy)-3-pyridinyl]pyrrolidine-3-carboxamide (CID 55150610) is N-[6-(2-methoxyethoxy)-3-pyridinyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for N-[6-(2-methoxyethoxy)-3-pyridinyl]pyrrolidine-3-carboxamide?
The canonical SMILES for N-[6-(2-methoxyethoxy)-3-pyridinyl]pyrrolidine-3-carboxamide is COCCOc1ccc(NC(=O)C2CCNC2)cn1.
What is the InChIKey of N-[6-(2-methoxyethoxy)-3-pyridinyl]pyrrolidine-3-carboxamide?
The InChIKey is YAPDARIASWVMSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-18-6-7-19-12-3-2-11(9-15-12)16-13(17)10-4-5-14-8-10/h2-3,9-10,14H,4-8H2,1H3,(H,16,17).
What are the key properties of N-[6-(2-methoxyethoxy)-3-pyridinyl]pyrrolidine-3-carboxamide?
N-[6-(2-methoxyethoxy)-3-pyridinyl]pyrrolidine-3-carboxamide has a molecular weight of 265.31 g/mol, XLogP of 0.65, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2-methoxyethoxy)-3-pyridinyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 55150610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).