2-(6-amino-2-pyridinyl)-N-[4-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]phenyl]acetamide

C23H26N4O2 — CID 18319829

IUPAC2-(6-amino-2-pyridinyl)-N-[4-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]phenyl]acetamide
SMILESNc1cccc(CC(=O)Nc2ccc(CCNCC(O)c3ccccc3)cc2)n1
InChIInChI=1S/C23H26N4O2/c24-22-8-4-7-20(26-22)15-23(29)27-19-11-9-17(10-12-19)13-14-25-16-21(28)18-5-2-1-3-6-18/h1-12,21,25,28H,13-16H2,(H2,24,26)(H,27,29)
InChIKeyBXGZQNFJRKTVCG-UHFFFAOYSA-N
MW390.49 g/mol
LogP2.71
Rot. Bonds9

About 2-(6-amino-2-pyridinyl)-N-[4-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]phenyl]acetamide

2-(6-amino-2-pyridinyl)-N-[4-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]phenyl]acetamide (PubChem CID 18319829) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is 2-(6-amino-2-pyridinyl)-N-[4-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]phenyl]acetamide.

Molecular Properties

Compound Name2-(6-amino-2-pyridinyl)-N-[4-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]phenyl]acetamide
PubChem CID18319829
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC Name2-(6-amino-2-pyridinyl)-N-[4-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]phenyl]acetamide
SMILESNc1cccc(CC(=O)Nc2ccc(CCNCC(O)c3ccccc3)cc2)n1
InChIInChI=1S/C23H26N4O2/c24-22-8-4-7-20(26-22)15-23(29)27-19-11-9-17(10-12-19)13-14-25-16-21(28)18-5-2-1-3-6-18/h1-12,21,25,28H,13-16H2,(H2,24,26)(H,27,29)
InChIKeyBXGZQNFJRKTVCG-UHFFFAOYSA-N
XLogP2.71
TPSA100.27 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 52.71
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(6-amino-2-pyridinyl)-N-[4-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]phenyl]acetamide?
The IUPAC name of 2-(6-amino-2-pyridinyl)-N-[4-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]phenyl]acetamide (CID 18319829) is 2-(6-amino-2-pyridinyl)-N-[4-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]phenyl]acetamide.
What is the SMILES notation for 2-(6-amino-2-pyridinyl)-N-[4-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]phenyl]acetamide?
The canonical SMILES for 2-(6-amino-2-pyridinyl)-N-[4-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]phenyl]acetamide is Nc1cccc(CC(=O)Nc2ccc(CCNCC(O)c3ccccc3)cc2)n1.
What is the InChIKey of 2-(6-amino-2-pyridinyl)-N-[4-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]phenyl]acetamide?
The InChIKey is BXGZQNFJRKTVCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c24-22-8-4-7-20(26-22)15-23(29)27-19-11-9-17(10-12-19)13-14-25-16-21(28)18-5-2-1-3-6-18/h1-12,21,25,28H,13-16H2,(H2,24,26)(H,27,29).
What are the key properties of 2-(6-amino-2-pyridinyl)-N-[4-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]phenyl]acetamide?
2-(6-amino-2-pyridinyl)-N-[4-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]phenyl]acetamide has a molecular weight of 390.49 g/mol, XLogP of 2.71, 9 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-amino-2-pyridinyl)-N-[4-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]phenyl]acetamide is sourced from PubChem (CID 18319829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).