2-[[5-[5-[2-(dimethylamino)ethoxy]-3-pyridinyl]-3-pyridinyl]oxy]-N,N-dimethylethanamine

C18H26N4O2 — CID 122182084

IUPAC2-[[5-[5-[2-(dimethylamino)ethoxy]-3-pyridinyl]-3-pyridinyl]oxy]-N,N-dimethylethanamine
SMILESCN(C)CCOc1cncc(-c2cncc(OCCN(C)C)c2)c1
InChIInChI=1S/C18H26N4O2/c1-21(2)5-7-23-17-9-15(11-19-13-17)16-10-18(14-20-12-16)24-8-6-22(3)4/h9-14H,5-8H2,1-4H3
InChIKeyHLXBLFRALJAWET-UHFFFAOYSA-N
MW330.43 g/mol
LogP2.02
Rot. Bonds9

About 2-[[5-[5-[2-(dimethylamino)ethoxy]-3-pyridinyl]-3-pyridinyl]oxy]-N,N-dimethylethanamine

2-[[5-[5-[2-(dimethylamino)ethoxy]-3-pyridinyl]-3-pyridinyl]oxy]-N,N-dimethylethanamine (PubChem CID 122182084) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is 2-[[5-[5-[2-(dimethylamino)ethoxy]-3-pyridinyl]-3-pyridinyl]oxy]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[[5-[5-[2-(dimethylamino)ethoxy]-3-pyridinyl]-3-pyridinyl]oxy]-N,N-dimethylethanamine
PubChem CID122182084
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC Name2-[[5-[5-[2-(dimethylamino)ethoxy]-3-pyridinyl]-3-pyridinyl]oxy]-N,N-dimethylethanamine
SMILESCN(C)CCOc1cncc(-c2cncc(OCCN(C)C)c2)c1
InChIInChI=1S/C18H26N4O2/c1-21(2)5-7-23-17-9-15(11-19-13-17)16-10-18(14-20-12-16)24-8-6-22(3)4/h9-14H,5-8H2,1-4H3
InChIKeyHLXBLFRALJAWET-UHFFFAOYSA-N
XLogP2.02
TPSA50.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-[5-[2-(dimethylamino)ethoxy]-3-pyridinyl]-3-pyridinyl]oxy]-N,N-dimethylethanamine?
The IUPAC name of 2-[[5-[5-[2-(dimethylamino)ethoxy]-3-pyridinyl]-3-pyridinyl]oxy]-N,N-dimethylethanamine (CID 122182084) is 2-[[5-[5-[2-(dimethylamino)ethoxy]-3-pyridinyl]-3-pyridinyl]oxy]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[[5-[5-[2-(dimethylamino)ethoxy]-3-pyridinyl]-3-pyridinyl]oxy]-N,N-dimethylethanamine?
The canonical SMILES for 2-[[5-[5-[2-(dimethylamino)ethoxy]-3-pyridinyl]-3-pyridinyl]oxy]-N,N-dimethylethanamine is CN(C)CCOc1cncc(-c2cncc(OCCN(C)C)c2)c1.
What is the InChIKey of 2-[[5-[5-[2-(dimethylamino)ethoxy]-3-pyridinyl]-3-pyridinyl]oxy]-N,N-dimethylethanamine?
The InChIKey is HLXBLFRALJAWET-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2/c1-21(2)5-7-23-17-9-15(11-19-13-17)16-10-18(14-20-12-16)24-8-6-22(3)4/h9-14H,5-8H2,1-4H3.
What are the key properties of 2-[[5-[5-[2-(dimethylamino)ethoxy]-3-pyridinyl]-3-pyridinyl]oxy]-N,N-dimethylethanamine?
2-[[5-[5-[2-(dimethylamino)ethoxy]-3-pyridinyl]-3-pyridinyl]oxy]-N,N-dimethylethanamine has a molecular weight of 330.43 g/mol, XLogP of 2.02, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[5-[2-(dimethylamino)ethoxy]-3-pyridinyl]-3-pyridinyl]oxy]-N,N-dimethylethanamine is sourced from PubChem (CID 122182084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).