2-[2-oxo-3-(pentylamino)-6-phenyl-1-pyridinyl]-N-(1,1,1-trifluoro-2-hydroxy-4-methylpentan-3-yl)acetamide

C24H32F3N3O3 — CID 67748095

IUPAC2-[2-oxo-3-(pentylamino)-6-phenyl-1-pyridinyl]-N-(1,1,1-trifluoro-2-hydroxy-4-methylpentan-3-yl)acetamide
SMILESCCCCCNc1ccc(-c2ccccc2)n(CC(=O)NC(C(C)C)C(O)C(F)(F)F)c1=O
InChIInChI=1S/C24H32F3N3O3/c1-4-5-9-14-28-18-12-13-19(17-10-7-6-8-11-17)30(23(18)33)15-20(31)29-21(16(2)3)22(32)24(25,26)27/h6-8,10-13,16,21-22,28,32H,4-5,9,14-15H2,1-3H3,(H,29,31)
InChIKeySEROALOFUBOLOB-UHFFFAOYSA-N
MW467.53 g/mol
LogP4.18
Rot. Bonds11

About 2-[2-oxo-3-(pentylamino)-6-phenyl-1-pyridinyl]-N-(1,1,1-trifluoro-2-hydroxy-4-methylpentan-3-yl)acetamide

2-[2-oxo-3-(pentylamino)-6-phenyl-1-pyridinyl]-N-(1,1,1-trifluoro-2-hydroxy-4-methylpentan-3-yl)acetamide (PubChem CID 67748095) has the molecular formula C24H32F3N3O3 and a molecular weight of 467.53 g/mol. Its IUPAC name is 2-[2-oxo-3-(pentylamino)-6-phenyl-1-pyridinyl]-N-(1,1,1-trifluoro-2-hydroxy-4-methylpentan-3-yl)acetamide.

Molecular Properties

Compound Name2-[2-oxo-3-(pentylamino)-6-phenyl-1-pyridinyl]-N-(1,1,1-trifluoro-2-hydroxy-4-methylpentan-3-yl)acetamide
PubChem CID67748095
Molecular FormulaC24H32F3N3O3
Molecular Weight467.53 g/mol
Exact Mass467.24
IUPAC Name2-[2-oxo-3-(pentylamino)-6-phenyl-1-pyridinyl]-N-(1,1,1-trifluoro-2-hydroxy-4-methylpentan-3-yl)acetamide
SMILESCCCCCNc1ccc(-c2ccccc2)n(CC(=O)NC(C(C)C)C(O)C(F)(F)F)c1=O
InChIInChI=1S/C24H32F3N3O3/c1-4-5-9-14-28-18-12-13-19(17-10-7-6-8-11-17)30(23(18)33)15-20(31)29-21(16(2)3)22(32)24(25,26)27/h6-8,10-13,16,21-22,28,32H,4-5,9,14-15H2,1-3H3,(H,29,31)
InChIKeySEROALOFUBOLOB-UHFFFAOYSA-N
XLogP4.18
TPSA83.36 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.53
LogP ≤ 54.18
H-Bond Donors ≤ 53
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-[2-oxo-3-(pentylamino)-6-phenyl-1-pyridinyl]-N-(1,1,1-trifluoro-2-hydroxy-4-methylpentan-3-yl)acetamide?
The IUPAC name of 2-[2-oxo-3-(pentylamino)-6-phenyl-1-pyridinyl]-N-(1,1,1-trifluoro-2-hydroxy-4-methylpentan-3-yl)acetamide (CID 67748095) is 2-[2-oxo-3-(pentylamino)-6-phenyl-1-pyridinyl]-N-(1,1,1-trifluoro-2-hydroxy-4-methylpentan-3-yl)acetamide.
What is the SMILES notation for 2-[2-oxo-3-(pentylamino)-6-phenyl-1-pyridinyl]-N-(1,1,1-trifluoro-2-hydroxy-4-methylpentan-3-yl)acetamide?
The canonical SMILES for 2-[2-oxo-3-(pentylamino)-6-phenyl-1-pyridinyl]-N-(1,1,1-trifluoro-2-hydroxy-4-methylpentan-3-yl)acetamide is CCCCCNc1ccc(-c2ccccc2)n(CC(=O)NC(C(C)C)C(O)C(F)(F)F)c1=O.
What is the InChIKey of 2-[2-oxo-3-(pentylamino)-6-phenyl-1-pyridinyl]-N-(1,1,1-trifluoro-2-hydroxy-4-methylpentan-3-yl)acetamide?
The InChIKey is SEROALOFUBOLOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32F3N3O3/c1-4-5-9-14-28-18-12-13-19(17-10-7-6-8-11-17)30(23(18)33)15-20(31)29-21(16(2)3)22(32)24(25,26)27/h6-8,10-13,16,21-22,28,32H,4-5,9,14-15H2,1-3H3,(H,29,31).
What are the key properties of 2-[2-oxo-3-(pentylamino)-6-phenyl-1-pyridinyl]-N-(1,1,1-trifluoro-2-hydroxy-4-methylpentan-3-yl)acetamide?
2-[2-oxo-3-(pentylamino)-6-phenyl-1-pyridinyl]-N-(1,1,1-trifluoro-2-hydroxy-4-methylpentan-3-yl)acetamide has a molecular weight of 467.53 g/mol, XLogP of 4.18, 11 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-oxo-3-(pentylamino)-6-phenyl-1-pyridinyl]-N-(1,1,1-trifluoro-2-hydroxy-4-methylpentan-3-yl)acetamide is sourced from PubChem (CID 67748095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).