2-[3-[(2R)-2-[[(2S)-2-(6-amino-3-pyridinyl)-2-hydroxyethyl]amino]propyl]phenyl]-N-(2-hydroxy-5-methylphenyl)acetamide

C25H30N4O3 — CID 69219114

About 2-[3-[(2R)-2-[[(2S)-2-(6-amino-3-pyridinyl)-2-hydroxyethyl]amino]propyl]phenyl]-N-(2-hydroxy-5-methylphenyl)acetamide

2-[3-[(2R)-2-[[(2S)-2-(6-amino-3-pyridinyl)-2-hydroxyethyl]amino]propyl]phenyl]-N-(2-hydroxy-5-methylphenyl)acetamide (PubChem CID 69219114) has the molecular formula C25H30N4O3 and a molecular weight of 434.54 g/mol. Its IUPAC name is 2-[3-[(2R)-2-[[(2S)-2-(6-amino-3-pyridinyl)-2-hydroxyethyl]amino]propyl]phenyl]-N-(2-hydroxy-5-methylphenyl)acetamide.

Molecular Properties

• Compound Name: 2-[3-[(2R)-2-[[(2S)-2-(6-amino-3-pyridinyl)-2-hydroxyethyl]amino]propyl]phenyl]-N-(2-hydroxy-5-methylphenyl)acetamide
• PubChem CID: 69219114
• Molecular Formula: C25H30N4O3
• Molecular Weight: 434.54 g/mol
• Exact Mass: 434.23
• IUPAC Name: 2-[3-[(2R)-2-[[(2S)-2-(6-amino-3-pyridinyl)-2-hydroxyethyl]amino]propyl]phenyl]-N-(2-hydroxy-5-methylphenyl)acetamide
• SMILES: Cc1ccc(O)c(NC(=O)Cc2cccc(C[C@@H](C)NC[C@@H](O)c3ccc(N)nc3)c2)c1
• InChI: InChI=1S/C25H30N4O3/c1-16-6-8-22(30)21(10-16)29-25(32)13-19-5-3-4-18(12-19)11-17(2)27-15-23(31)20-7-9-24(26)28-14-20/h3-10,12,14,17,23,27,30-31H,11,13,15H2,1-2H3,(H2,26,28)(H,29,32)/t17-,23-/m1/s1
• InChIKey: YSKQGPMDXPBBJY-UZUQRXQVSA-N
• XLogP: 3.11
• TPSA: 120.50 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	434.54
LogP ≤ 5	3.11
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'catechol', 'substructure': 'N/A'}

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-hydroxy-5-methylphenyl)acetamide?

The IUPAC name of 2-[3-[(2R)-2-[[(2S)-2-(6-amino-3-pyridinyl)-2-hydroxyethyl]amino]propyl]phenyl]-N-(2-hydroxy-5-methylphenyl)acetamide (CID 69219114) is 2-[3-[(2R)-2-[[(2S)-2-(6-amino-3-pyridinyl)-2-hydroxyethyl]amino]propyl]phenyl]-N-(2-hydroxy-5-methylphenyl)acetamide.

What is the SMILES notation for 2-[3-[(2R)-2-[[(2S)-2-(6-amino-3-pyridinyl)-2-hydroxyethyl]amino]propyl]phenyl]-N-(2-hydroxy-5-methylphenyl)acetamide?

The canonical SMILES for 2-[3-[(2R)-2-[[(2S)-2-(6-amino-3-pyridinyl)-2-hydroxyethyl]amino]propyl]phenyl]-N-(2-hydroxy-5-methylphenyl)acetamide is Cc1ccc(O)c(NC(=O)Cc2cccc(C[C@@H](C)NC[C@@H](O)c3ccc(N)nc3)c2)c1.

What is the InChIKey of 2-[3-[(2R)-2-[[(2S)-2-(6-amino-3-pyridinyl)-2-hydroxyethyl]amino]propyl]phenyl]-N-(2-hydroxy-5-methylphenyl)acetamide?

The InChIKey is YSKQGPMDXPBBJY-UZUQRXQVSA-N. The full InChI is InChI=1S/C25H30N4O3/c1-16-6-8-22(30)21(10-16)29-25(32)13-19-5-3-4-18(12-19)11-17(2)27-15-23(31)20-7-9-24(26)28-14-20/h3-10,12,14,17,23,27,30-31H,11,13,15H2,1-2H3,(H2,26,28)(H,29,32)/t17-,23-/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-hydroxy-5-methylphenyl)acetamide?

2-[3-[(2R)-2-[[(2S)-2-(6-amino-3-pyridinyl)-2-hydroxyethyl]amino]propyl]phenyl]-N-(2-hydroxy-5-methylphenyl)acetamide has a molecular weight of 434.54 g/mol, XLogP of 3.11, 9 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-hydroxy-5-methylphenyl)acetamide is sourced from PubChem (CID 69219114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).