1-[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]pyrrolidine-3,4-diol

C13H21N3O3 — CID 106670459

IUPAC1-[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]pyrrolidine-3,4-diol
SMILESCOCCNCc1ccc(N2CC(O)C(O)C2)nc1
InChIInChI=1S/C13H21N3O3/c1-19-5-4-14-6-10-2-3-13(15-7-10)16-8-11(17)12(18)9-16/h2-3,7,11-12,14,17-18H,4-6,8-9H2,1H3
InChIKeyOXWRTAPMVICNDP-UHFFFAOYSA-N
MW267.33 g/mol
LogP-0.64
Rot. Bonds6

About 1-[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]pyrrolidine-3,4-diol

1-[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]pyrrolidine-3,4-diol (PubChem CID 106670459) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is 1-[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]pyrrolidine-3,4-diol.

Molecular Properties

Compound Name1-[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]pyrrolidine-3,4-diol
PubChem CID106670459
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Name1-[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]pyrrolidine-3,4-diol
SMILESCOCCNCc1ccc(N2CC(O)C(O)C2)nc1
InChIInChI=1S/C13H21N3O3/c1-19-5-4-14-6-10-2-3-13(15-7-10)16-8-11(17)12(18)9-16/h2-3,7,11-12,14,17-18H,4-6,8-9H2,1H3
InChIKeyOXWRTAPMVICNDP-UHFFFAOYSA-N
XLogP-0.64
TPSA77.85 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 5-0.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[[6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-pyridinyl]methyl]-2-methoxyethanamine
CID 115560699
2-methoxy-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]ethanamine
CID 80628704
N-[[6-(3,4-dimethylpiperazin-1-yl)-3-pyridinyl]methyl]-2-methoxyethanamine
CID 80636085
N-[[6-(1,3-dihydroisoindol-2-yl)-3-pyridinyl]methyl]-2-methoxyethanamine
CID 80637880
2-[4-[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]piperazin-1-yl]ethanol
CID 80631144
8-[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 80638259
2-methoxy-N-[[6-(2,2,6-trimethylmorpholin-4-yl)-3-pyridinyl]methyl]ethanamine
CID 80636499
1-[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]piperidine-4-carboxamide
CID 80631598
2-methoxy-N-[[6-(4-propylpiperazin-1-yl)-3-pyridinyl]methyl]ethanamine
CID 80631242
[1-[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]piperidin-2-yl]methanol
CID 80629858
1-(5-ethyl-2-pyridinyl)pyrrolidine-3,4-diol
CID 177167295
2-methoxy-N-[[6-(2-methylazepan-1-yl)-3-pyridinyl]methyl]ethanamine
CID 80635743

Frequently Asked Questions

What is the IUPAC name of 1-[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]pyrrolidine-3,4-diol?
The IUPAC name of 1-[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]pyrrolidine-3,4-diol (CID 106670459) is 1-[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]pyrrolidine-3,4-diol.
What is the SMILES notation for 1-[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]pyrrolidine-3,4-diol?
The canonical SMILES for 1-[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]pyrrolidine-3,4-diol is COCCNCc1ccc(N2CC(O)C(O)C2)nc1.
What is the InChIKey of 1-[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]pyrrolidine-3,4-diol?
The InChIKey is OXWRTAPMVICNDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-19-5-4-14-6-10-2-3-13(15-7-10)16-8-11(17)12(18)9-16/h2-3,7,11-12,14,17-18H,4-6,8-9H2,1H3.
What are the key properties of 1-[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]pyrrolidine-3,4-diol?
1-[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]pyrrolidine-3,4-diol has a molecular weight of 267.33 g/mol, XLogP of -0.64, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]pyrrolidine-3,4-diol is sourced from PubChem (CID 106670459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).