2-[[5-[(2-methyl-3-pyridinyl)methylamino]-2-pyridinyl]oxy]ethanol

C14H17N3O2 — CID 75388346

IUPAC2-[[5-[(2-methyl-3-pyridinyl)methylamino]-2-pyridinyl]oxy]ethanol
SMILESCc1ncccc1CNc1ccc(OCCO)nc1
InChIInChI=1S/C14H17N3O2/c1-11-12(3-2-6-15-11)9-16-13-4-5-14(17-10-13)19-8-7-18/h2-6,10,16,18H,7-9H2,1H3
InChIKeyQEDPUHALQZZYML-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.77
Rot. Bonds6

About 2-[[5-[(2-methyl-3-pyridinyl)methylamino]-2-pyridinyl]oxy]ethanol

2-[[5-[(2-methyl-3-pyridinyl)methylamino]-2-pyridinyl]oxy]ethanol (PubChem CID 75388346) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-[[5-[(2-methyl-3-pyridinyl)methylamino]-2-pyridinyl]oxy]ethanol.

Molecular Properties

Compound Name2-[[5-[(2-methyl-3-pyridinyl)methylamino]-2-pyridinyl]oxy]ethanol
PubChem CID75388346
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name2-[[5-[(2-methyl-3-pyridinyl)methylamino]-2-pyridinyl]oxy]ethanol
SMILESCc1ncccc1CNc1ccc(OCCO)nc1
InChIInChI=1S/C14H17N3O2/c1-11-12(3-2-6-15-11)9-16-13-4-5-14(17-10-13)19-8-7-18/h2-6,10,16,18H,7-9H2,1H3
InChIKeyQEDPUHALQZZYML-UHFFFAOYSA-N
XLogP1.77
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-[(2-methyl-3-pyridinyl)methylamino]-2-pyridinyl]oxy]ethanol?
The IUPAC name of 2-[[5-[(2-methyl-3-pyridinyl)methylamino]-2-pyridinyl]oxy]ethanol (CID 75388346) is 2-[[5-[(2-methyl-3-pyridinyl)methylamino]-2-pyridinyl]oxy]ethanol.
What is the SMILES notation for 2-[[5-[(2-methyl-3-pyridinyl)methylamino]-2-pyridinyl]oxy]ethanol?
The canonical SMILES for 2-[[5-[(2-methyl-3-pyridinyl)methylamino]-2-pyridinyl]oxy]ethanol is Cc1ncccc1CNc1ccc(OCCO)nc1.
What is the InChIKey of 2-[[5-[(2-methyl-3-pyridinyl)methylamino]-2-pyridinyl]oxy]ethanol?
The InChIKey is QEDPUHALQZZYML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-11-12(3-2-6-15-11)9-16-13-4-5-14(17-10-13)19-8-7-18/h2-6,10,16,18H,7-9H2,1H3.
What are the key properties of 2-[[5-[(2-methyl-3-pyridinyl)methylamino]-2-pyridinyl]oxy]ethanol?
2-[[5-[(2-methyl-3-pyridinyl)methylamino]-2-pyridinyl]oxy]ethanol has a molecular weight of 259.31 g/mol, XLogP of 1.77, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[(2-methyl-3-pyridinyl)methylamino]-2-pyridinyl]oxy]ethanol is sourced from PubChem (CID 75388346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).