2-[4-(2,6-dipyridin-2-yl-4-pyridinyl)-N-(2-hydroxyethyl)anilino]ethanol

C25H24N4O2 — CID 101159131

IUPAC2-[4-(2,6-dipyridin-2-yl-4-pyridinyl)-N-(2-hydroxyethyl)anilino]ethanol
SMILESOCCN(CCO)c1ccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc1
InChIInChI=1S/C25H24N4O2/c30-15-13-29(14-16-31)21-9-7-19(8-10-21)20-17-24(22-5-1-3-11-26-22)28-25(18-20)23-6-2-4-12-27-23/h1-12,17-18,30-31H,13-16H2
InChIKeyQFXZOWRIKYVPKD-UHFFFAOYSA-N
MW412.49 g/mol
LogP3.66
Rot. Bonds8

About 2-[4-(2,6-dipyridin-2-yl-4-pyridinyl)-N-(2-hydroxyethyl)anilino]ethanol

2-[4-(2,6-dipyridin-2-yl-4-pyridinyl)-N-(2-hydroxyethyl)anilino]ethanol (PubChem CID 101159131) has the molecular formula C25H24N4O2 and a molecular weight of 412.49 g/mol. Its IUPAC name is 2-[4-(2,6-dipyridin-2-yl-4-pyridinyl)-N-(2-hydroxyethyl)anilino]ethanol.

Molecular Properties

Compound Name2-[4-(2,6-dipyridin-2-yl-4-pyridinyl)-N-(2-hydroxyethyl)anilino]ethanol
PubChem CID101159131
Molecular FormulaC25H24N4O2
Molecular Weight412.49 g/mol
Exact Mass412.19
IUPAC Name2-[4-(2,6-dipyridin-2-yl-4-pyridinyl)-N-(2-hydroxyethyl)anilino]ethanol
SMILESOCCN(CCO)c1ccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc1
InChIInChI=1S/C25H24N4O2/c30-15-13-29(14-16-31)21-9-7-19(8-10-21)20-17-24(22-5-1-3-11-26-22)28-25(18-20)23-6-2-4-12-27-23/h1-12,17-18,30-31H,13-16H2
InChIKeyQFXZOWRIKYVPKD-UHFFFAOYSA-N
XLogP3.66
TPSA82.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

CID 80259
CID 80259
CID 11438308
CID 11438308
CID 4407216
CID 4407216
CID 71462763
CID 71462763
CID 453059
CID 453059
CID 9972674
CID 9972674
CID 46702535
CID 46702535
CID 136260512
CID 136260512
CID 146114
CID 146114
CID 16189844
CID 16189844
CID 16190802
CID 16190802
CID 46702693
CID 46702693

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,6-dipyridin-2-yl-4-pyridinyl)-N-(2-hydroxyethyl)anilino]ethanol?
The IUPAC name of 2-[4-(2,6-dipyridin-2-yl-4-pyridinyl)-N-(2-hydroxyethyl)anilino]ethanol (CID 101159131) is 2-[4-(2,6-dipyridin-2-yl-4-pyridinyl)-N-(2-hydroxyethyl)anilino]ethanol.
What is the SMILES notation for 2-[4-(2,6-dipyridin-2-yl-4-pyridinyl)-N-(2-hydroxyethyl)anilino]ethanol?
The canonical SMILES for 2-[4-(2,6-dipyridin-2-yl-4-pyridinyl)-N-(2-hydroxyethyl)anilino]ethanol is OCCN(CCO)c1ccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc1.
What is the InChIKey of 2-[4-(2,6-dipyridin-2-yl-4-pyridinyl)-N-(2-hydroxyethyl)anilino]ethanol?
The InChIKey is QFXZOWRIKYVPKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O2/c30-15-13-29(14-16-31)21-9-7-19(8-10-21)20-17-24(22-5-1-3-11-26-22)28-25(18-20)23-6-2-4-12-27-23/h1-12,17-18,30-31H,13-16H2.
What are the key properties of 2-[4-(2,6-dipyridin-2-yl-4-pyridinyl)-N-(2-hydroxyethyl)anilino]ethanol?
2-[4-(2,6-dipyridin-2-yl-4-pyridinyl)-N-(2-hydroxyethyl)anilino]ethanol has a molecular weight of 412.49 g/mol, XLogP of 3.66, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,6-dipyridin-2-yl-4-pyridinyl)-N-(2-hydroxyethyl)anilino]ethanol is sourced from PubChem (CID 101159131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).