3-[(2R)-2-[[(2R)-2-(6-amino-3-pyridinyl)-2-hydroxyethyl]amino]propyl]-N-[2-(3-hydroxy-4-methoxyphenyl)ethyl]benzamide

C26H32N4O4 — CID 69221305

About 3-[(2R)-2-[[(2R)-2-(6-amino-3-pyridinyl)-2-hydroxyethyl]amino]propyl]-N-[2-(3-hydroxy-4-methoxyphenyl)ethyl]benzamide

3-[(2R)-2-[[(2R)-2-(6-amino-3-pyridinyl)-2-hydroxyethyl]amino]propyl]-N-[2-(3-hydroxy-4-methoxyphenyl)ethyl]benzamide (PubChem CID 69221305) has the molecular formula C26H32N4O4 and a molecular weight of 464.57 g/mol. Its IUPAC name is 3-[(2R)-2-[[(2R)-2-(6-amino-3-pyridinyl)-2-hydroxyethyl]amino]propyl]-N-[2-(3-hydroxy-4-methoxyphenyl)ethyl]benzamide.

Molecular Properties

• Compound Name: 3-[(2R)-2-[[(2R)-2-(6-amino-3-pyridinyl)-2-hydroxyethyl]amino]propyl]-N-[2-(3-hydroxy-4-methoxyphenyl)ethyl]benzamide
• PubChem CID: 69221305
• Molecular Formula: C26H32N4O4
• Molecular Weight: 464.57 g/mol
• Exact Mass: 464.24
• IUPAC Name: 3-[(2R)-2-[[(2R)-2-(6-amino-3-pyridinyl)-2-hydroxyethyl]amino]propyl]-N-[2-(3-hydroxy-4-methoxyphenyl)ethyl]benzamide
• SMILES: COc1ccc(CCNC(=O)c2cccc(C[C@@H](C)NC[C@H](O)c3ccc(N)nc3)c2)cc1O
• InChI: InChI=1S/C26H32N4O4/c1-17(29-16-23(32)21-7-9-25(27)30-15-21)12-19-4-3-5-20(13-19)26(33)28-11-10-18-6-8-24(34-2)22(31)14-18/h3-9,13-15,17,23,29,31-32H,10-12,16H2,1-2H3,(H2,27,30)(H,28,33)/t17-,23+/m1/s1
• InChIKey: FXOIAKRUYZIEHK-HXOBKFHXSA-N
• XLogP: 2.60
• TPSA: 129.73 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 7
• Rotatable Bonds: 11
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	464.57
LogP ≤ 5	2.60
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-2-[[(2R)-2-(6-amino-3-pyridinyl)-2-hydroxyethyl]amino]propyl]-N-[2-(3-hydroxy-4-methoxyphenyl)ethyl]benzamide?

The IUPAC name of 3-[(2R)-2-[[(2R)-2-(6-amino-3-pyridinyl)-2-hydroxyethyl]amino]propyl]-N-[2-(3-hydroxy-4-methoxyphenyl)ethyl]benzamide (CID 69221305) is 3-[(2R)-2-[[(2R)-2-(6-amino-3-pyridinyl)-2-hydroxyethyl]amino]propyl]-N-[2-(3-hydroxy-4-methoxyphenyl)ethyl]benzamide.

What is the SMILES notation for 3-[(2R)-2-[[(2R)-2-(6-amino-3-pyridinyl)-2-hydroxyethyl]amino]propyl]-N-[2-(3-hydroxy-4-methoxyphenyl)ethyl]benzamide?

The canonical SMILES for 3-[(2R)-2-[[(2R)-2-(6-amino-3-pyridinyl)-2-hydroxyethyl]amino]propyl]-N-[2-(3-hydroxy-4-methoxyphenyl)ethyl]benzamide is COc1ccc(CCNC(=O)c2cccc(C[C@@H](C)NC[C@H](O)c3ccc(N)nc3)c2)cc1O.

What is the InChIKey of 3-[(2R)-2-[[(2R)-2-(6-amino-3-pyridinyl)-2-hydroxyethyl]amino]propyl]-N-[2-(3-hydroxy-4-methoxyphenyl)ethyl]benzamide?

The InChIKey is FXOIAKRUYZIEHK-HXOBKFHXSA-N. The full InChI is InChI=1S/C26H32N4O4/c1-17(29-16-23(32)21-7-9-25(27)30-15-21)12-19-4-3-5-20(13-19)26(33)28-11-10-18-6-8-24(34-2)22(31)14-18/h3-9,13-15,17,23,29,31-32H,10-12,16H2,1-2H3,(H2,27,30)(H,28,33)/t17-,23+/m1/s1.

What are the key properties of 3-[(2R)-2-[[(2R)-2-(6-amino-3-pyridinyl)-2-hydroxyethyl]amino]propyl]-N-[2-(3-hydroxy-4-methoxyphenyl)ethyl]benzamide?

3-[(2R)-2-[[(2R)-2-(6-amino-3-pyridinyl)-2-hydroxyethyl]amino]propyl]-N-[2-(3-hydroxy-4-methoxyphenyl)ethyl]benzamide has a molecular weight of 464.57 g/mol, XLogP of 2.60, 11 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(2R)-2-[[(2R)-2-(6-amino-3-pyridinyl)-2-hydroxyethyl]amino]propyl]-N-[2-(3-hydroxy-4-methoxyphenyl)ethyl]benzamide is sourced from PubChem (CID 69221305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).