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

C14H21N3O3 — CID 102777809

IUPACN-[6-(2-methoxyethoxy)-3-pyridinyl]-3-methylpyrrolidine-2-carboxamide
SMILESCOCCOc1ccc(NC(=O)C2NCCC2C)cn1
InChIInChI=1S/C14H21N3O3/c1-10-5-6-15-13(10)14(18)17-11-3-4-12(16-9-11)20-8-7-19-2/h3-4,9-10,13,15H,5-8H2,1-2H3,(H,17,18)
InChIKeyKXEPJEALPLTRNX-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.04
Rot. Bonds6

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

N-[6-(2-methoxyethoxy)-3-pyridinyl]-3-methylpyrrolidine-2-carboxamide (PubChem CID 102777809) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is N-[6-(2-methoxyethoxy)-3-pyridinyl]-3-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[6-(2-methoxyethoxy)-3-pyridinyl]-3-methylpyrrolidine-2-carboxamide
PubChem CID102777809
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC NameN-[6-(2-methoxyethoxy)-3-pyridinyl]-3-methylpyrrolidine-2-carboxamide
SMILESCOCCOc1ccc(NC(=O)C2NCCC2C)cn1
InChIInChI=1S/C14H21N3O3/c1-10-5-6-15-13(10)14(18)17-11-3-4-12(16-9-11)20-8-7-19-2/h3-4,9-10,13,15H,5-8H2,1-2H3,(H,17,18)
InChIKeyKXEPJEALPLTRNX-UHFFFAOYSA-N
XLogP1.04
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[6-(2-methoxyethoxy)-3-pyridinyl]-3-methylpyrrolidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[6-(2-methoxyethoxy)-3-pyridinyl]-3-methylpyrrolidine-2-carboxamide?
The IUPAC name of N-[6-(2-methoxyethoxy)-3-pyridinyl]-3-methylpyrrolidine-2-carboxamide (CID 102777809) is N-[6-(2-methoxyethoxy)-3-pyridinyl]-3-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-[6-(2-methoxyethoxy)-3-pyridinyl]-3-methylpyrrolidine-2-carboxamide?
The canonical SMILES for N-[6-(2-methoxyethoxy)-3-pyridinyl]-3-methylpyrrolidine-2-carboxamide is COCCOc1ccc(NC(=O)C2NCCC2C)cn1.
What is the InChIKey of N-[6-(2-methoxyethoxy)-3-pyridinyl]-3-methylpyrrolidine-2-carboxamide?
The InChIKey is KXEPJEALPLTRNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-10-5-6-15-13(10)14(18)17-11-3-4-12(16-9-11)20-8-7-19-2/h3-4,9-10,13,15H,5-8H2,1-2H3,(H,17,18).
What are the key properties of N-[6-(2-methoxyethoxy)-3-pyridinyl]-3-methylpyrrolidine-2-carboxamide?
N-[6-(2-methoxyethoxy)-3-pyridinyl]-3-methylpyrrolidine-2-carboxamide has a molecular weight of 279.34 g/mol, XLogP of 1.04, 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]-3-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 102777809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).