2-[3-[(2R)-2-[[(2S)-2-(6-amino-3-pyridinyl)-2-hydroxyethyl]amino]propyl]phenyl]-N-[2-(3-hydroxyphenyl)ethyl]acetamide

C26H32N4O3 — CID 69219037

About 2-[3-[(2R)-2-[[(2S)-2-(6-amino-3-pyridinyl)-2-hydroxyethyl]amino]propyl]phenyl]-N-[2-(3-hydroxyphenyl)ethyl]acetamide

2-[3-[(2R)-2-[[(2S)-2-(6-amino-3-pyridinyl)-2-hydroxyethyl]amino]propyl]phenyl]-N-[2-(3-hydroxyphenyl)ethyl]acetamide (PubChem CID 69219037) has the molecular formula C26H32N4O3 and a molecular weight of 448.57 g/mol. Its IUPAC name is 2-[3-[(2R)-2-[[(2S)-2-(6-amino-3-pyridinyl)-2-hydroxyethyl]amino]propyl]phenyl]-N-[2-(3-hydroxyphenyl)ethyl]acetamide.

Molecular Properties

• Compound Name: 2-[3-[(2R)-2-[[(2S)-2-(6-amino-3-pyridinyl)-2-hydroxyethyl]amino]propyl]phenyl]-N-[2-(3-hydroxyphenyl)ethyl]acetamide
• PubChem CID: 69219037
• Molecular Formula: C26H32N4O3
• Molecular Weight: 448.57 g/mol
• Exact Mass: 448.25
• IUPAC Name: 2-[3-[(2R)-2-[[(2S)-2-(6-amino-3-pyridinyl)-2-hydroxyethyl]amino]propyl]phenyl]-N-[2-(3-hydroxyphenyl)ethyl]acetamide
• SMILES: C[C@H](Cc1cccc(CC(=O)NCCc2cccc(O)c2)c1)NC[C@@H](O)c1ccc(N)nc1
• InChI: InChI=1S/C26H32N4O3/c1-18(29-17-24(32)22-8-9-25(27)30-16-22)12-20-5-2-6-21(13-20)15-26(33)28-11-10-19-4-3-7-23(31)14-19/h2-9,13-14,16,18,24,29,31-32H,10-12,15,17H2,1H3,(H2,27,30)(H,28,33)/t18-,24-/m1/s1
• InChIKey: ICCCLQJQCUTXGH-HOYKHHGWSA-N
• XLogP: 2.53
• TPSA: 120.50 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 6
• Rotatable Bonds: 11
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	448.57
LogP ≤ 5	2.53
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(2R)-2-[[(2S)-2-(6-amino-3-pyridinyl)-2-hydroxyethyl]amino]propyl]phenyl]-N-[2-(3-hydroxyphenyl)ethyl]acetamide?

The IUPAC name of 2-[3-[(2R)-2-[[(2S)-2-(6-amino-3-pyridinyl)-2-hydroxyethyl]amino]propyl]phenyl]-N-[2-(3-hydroxyphenyl)ethyl]acetamide (CID 69219037) is 2-[3-[(2R)-2-[[(2S)-2-(6-amino-3-pyridinyl)-2-hydroxyethyl]amino]propyl]phenyl]-N-[2-(3-hydroxyphenyl)ethyl]acetamide.

What is the SMILES notation for 2-[3-[(2R)-2-[[(2S)-2-(6-amino-3-pyridinyl)-2-hydroxyethyl]amino]propyl]phenyl]-N-[2-(3-hydroxyphenyl)ethyl]acetamide?

The canonical SMILES for 2-[3-[(2R)-2-[[(2S)-2-(6-amino-3-pyridinyl)-2-hydroxyethyl]amino]propyl]phenyl]-N-[2-(3-hydroxyphenyl)ethyl]acetamide is C[C@H](Cc1cccc(CC(=O)NCCc2cccc(O)c2)c1)NC[C@@H](O)c1ccc(N)nc1.

What is the InChIKey of 2-[3-[(2R)-2-[[(2S)-2-(6-amino-3-pyridinyl)-2-hydroxyethyl]amino]propyl]phenyl]-N-[2-(3-hydroxyphenyl)ethyl]acetamide?

The InChIKey is ICCCLQJQCUTXGH-HOYKHHGWSA-N. The full InChI is InChI=1S/C26H32N4O3/c1-18(29-17-24(32)22-8-9-25(27)30-16-22)12-20-5-2-6-21(13-20)15-26(33)28-11-10-19-4-3-7-23(31)14-19/h2-9,13-14,16,18,24,29,31-32H,10-12,15,17H2,1H3,(H2,27,30)(H,28,33)/t18-,24-/m1/s1.

What are the key properties of 2-[3-[(2R)-2-[[(2S)-2-(6-amino-3-pyridinyl)-2-hydroxyethyl]amino]propyl]phenyl]-N-[2-(3-hydroxyphenyl)ethyl]acetamide?

2-[3-[(2R)-2-[[(2S)-2-(6-amino-3-pyridinyl)-2-hydroxyethyl]amino]propyl]phenyl]-N-[2-(3-hydroxyphenyl)ethyl]acetamide has a molecular weight of 448.57 g/mol, XLogP of 2.53, 11 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[(2R)-2-[[(2S)-2-(6-amino-3-pyridinyl)-2-hydroxyethyl]amino]propyl]phenyl]-N-[2-(3-hydroxyphenyl)ethyl]acetamide is sourced from PubChem (CID 69219037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).