[2-(hydroxymethyl)-2-(2-methoxyethyl)pyrrolidin-1-yl]-pyridin-4-ylmethanone

C14H20N2O3 — CID 86771534

IUPAC[2-(hydroxymethyl)-2-(2-methoxyethyl)pyrrolidin-1-yl]-pyridin-4-ylmethanone
SMILESCOCCC1(CO)CCCN1C(=O)c1ccncc1
InChIInChI=1S/C14H20N2O3/c1-19-10-6-14(11-17)5-2-9-16(14)13(18)12-3-7-15-8-4-12/h3-4,7-8,17H,2,5-6,9-11H2,1H3
InChIKeyXEVJRZNFPFRMAU-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.09
Rot. Bonds5

About [2-(hydroxymethyl)-2-(2-methoxyethyl)pyrrolidin-1-yl]-pyridin-4-ylmethanone

[2-(hydroxymethyl)-2-(2-methoxyethyl)pyrrolidin-1-yl]-pyridin-4-ylmethanone (PubChem CID 86771534) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is [2-(hydroxymethyl)-2-(2-methoxyethyl)pyrrolidin-1-yl]-pyridin-4-ylmethanone.

Molecular Properties

Compound Name[2-(hydroxymethyl)-2-(2-methoxyethyl)pyrrolidin-1-yl]-pyridin-4-ylmethanone
PubChem CID86771534
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name[2-(hydroxymethyl)-2-(2-methoxyethyl)pyrrolidin-1-yl]-pyridin-4-ylmethanone
SMILESCOCCC1(CO)CCCN1C(=O)c1ccncc1
InChIInChI=1S/C14H20N2O3/c1-19-10-6-14(11-17)5-2-9-16(14)13(18)12-3-7-15-8-4-12/h3-4,7-8,17H,2,5-6,9-11H2,1H3
InChIKeyXEVJRZNFPFRMAU-UHFFFAOYSA-N
XLogP1.09
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-(hydroxymethyl)-2-(2-methoxyethyl)pyrrolidin-1-yl]-pyridin-4-ylmethanone 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 [2-(hydroxymethyl)-2-(2-methoxyethyl)pyrrolidin-1-yl]-pyridin-4-ylmethanone?
The IUPAC name of [2-(hydroxymethyl)-2-(2-methoxyethyl)pyrrolidin-1-yl]-pyridin-4-ylmethanone (CID 86771534) is [2-(hydroxymethyl)-2-(2-methoxyethyl)pyrrolidin-1-yl]-pyridin-4-ylmethanone.
What is the SMILES notation for [2-(hydroxymethyl)-2-(2-methoxyethyl)pyrrolidin-1-yl]-pyridin-4-ylmethanone?
The canonical SMILES for [2-(hydroxymethyl)-2-(2-methoxyethyl)pyrrolidin-1-yl]-pyridin-4-ylmethanone is COCCC1(CO)CCCN1C(=O)c1ccncc1.
What is the InChIKey of [2-(hydroxymethyl)-2-(2-methoxyethyl)pyrrolidin-1-yl]-pyridin-4-ylmethanone?
The InChIKey is XEVJRZNFPFRMAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-19-10-6-14(11-17)5-2-9-16(14)13(18)12-3-7-15-8-4-12/h3-4,7-8,17H,2,5-6,9-11H2,1H3.
What are the key properties of [2-(hydroxymethyl)-2-(2-methoxyethyl)pyrrolidin-1-yl]-pyridin-4-ylmethanone?
[2-(hydroxymethyl)-2-(2-methoxyethyl)pyrrolidin-1-yl]-pyridin-4-ylmethanone has a molecular weight of 264.32 g/mol, XLogP of 1.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(hydroxymethyl)-2-(2-methoxyethyl)pyrrolidin-1-yl]-pyridin-4-ylmethanone is sourced from PubChem (CID 86771534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).