4-[2-(2-ethoxyanilino)-4-pyridinyl]-N-(2-ethoxyphenyl)pyridin-2-amine

C26H26N4O2 — CID 10477561

IUPAC4-[2-(2-ethoxyanilino)-4-pyridinyl]-N-(2-ethoxyphenyl)pyridin-2-amine
SMILESCCOc1ccccc1Nc1cc(-c2ccnc(Nc3ccccc3OCC)c2)ccn1
InChIInChI=1S/C26H26N4O2/c1-3-31-23-11-7-5-9-21(23)29-25-17-19(13-15-27-25)20-14-16-28-26(18-20)30-22-10-6-8-12-24(22)32-4-2/h5-18H,3-4H2,1-2H3,(H,27,29)(H,28,30)
InChIKeyFCOGOYOJNYQGJG-UHFFFAOYSA-N
MW426.52 g/mol
LogP6.43
Rot. Bonds9

About 4-[2-(2-ethoxyanilino)-4-pyridinyl]-N-(2-ethoxyphenyl)pyridin-2-amine

4-[2-(2-ethoxyanilino)-4-pyridinyl]-N-(2-ethoxyphenyl)pyridin-2-amine (PubChem CID 10477561) has the molecular formula C26H26N4O2 and a molecular weight of 426.52 g/mol. Its IUPAC name is 4-[2-(2-ethoxyanilino)-4-pyridinyl]-N-(2-ethoxyphenyl)pyridin-2-amine.

Molecular Properties

Compound Name4-[2-(2-ethoxyanilino)-4-pyridinyl]-N-(2-ethoxyphenyl)pyridin-2-amine
PubChem CID10477561
Molecular FormulaC26H26N4O2
Molecular Weight426.52 g/mol
Exact Mass426.21
IUPAC Name4-[2-(2-ethoxyanilino)-4-pyridinyl]-N-(2-ethoxyphenyl)pyridin-2-amine
SMILESCCOc1ccccc1Nc1cc(-c2ccnc(Nc3ccccc3OCC)c2)ccn1
InChIInChI=1S/C26H26N4O2/c1-3-31-23-11-7-5-9-21(23)29-25-17-19(13-15-27-25)20-14-16-28-26(18-20)30-22-10-6-8-12-24(22)32-4-2/h5-18H,3-4H2,1-2H3,(H,27,29)(H,28,30)
InChIKeyFCOGOYOJNYQGJG-UHFFFAOYSA-N
XLogP6.43
TPSA68.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.52
LogP ≤ 56.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-ethoxyanilino)-4-pyridinyl]-N-(2-ethoxyphenyl)pyridin-2-amine?
The IUPAC name of 4-[2-(2-ethoxyanilino)-4-pyridinyl]-N-(2-ethoxyphenyl)pyridin-2-amine (CID 10477561) is 4-[2-(2-ethoxyanilino)-4-pyridinyl]-N-(2-ethoxyphenyl)pyridin-2-amine.
What is the SMILES notation for 4-[2-(2-ethoxyanilino)-4-pyridinyl]-N-(2-ethoxyphenyl)pyridin-2-amine?
The canonical SMILES for 4-[2-(2-ethoxyanilino)-4-pyridinyl]-N-(2-ethoxyphenyl)pyridin-2-amine is CCOc1ccccc1Nc1cc(-c2ccnc(Nc3ccccc3OCC)c2)ccn1.
What is the InChIKey of 4-[2-(2-ethoxyanilino)-4-pyridinyl]-N-(2-ethoxyphenyl)pyridin-2-amine?
The InChIKey is FCOGOYOJNYQGJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O2/c1-3-31-23-11-7-5-9-21(23)29-25-17-19(13-15-27-25)20-14-16-28-26(18-20)30-22-10-6-8-12-24(22)32-4-2/h5-18H,3-4H2,1-2H3,(H,27,29)(H,28,30).
What are the key properties of 4-[2-(2-ethoxyanilino)-4-pyridinyl]-N-(2-ethoxyphenyl)pyridin-2-amine?
4-[2-(2-ethoxyanilino)-4-pyridinyl]-N-(2-ethoxyphenyl)pyridin-2-amine has a molecular weight of 426.52 g/mol, XLogP of 6.43, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-ethoxyanilino)-4-pyridinyl]-N-(2-ethoxyphenyl)pyridin-2-amine is sourced from PubChem (CID 10477561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).