2-(azocan-1-yl)-2-oxo-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]acetamide

C15H18F3N3O3 — CID 56800833

IUPAC2-(azocan-1-yl)-2-oxo-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]acetamide
SMILESO=C(Nc1cc(C(F)(F)F)c[nH]c1=O)C(=O)N1CCCCCCC1
InChIInChI=1S/C15H18F3N3O3/c16-15(17,18)10-8-11(12(22)19-9-10)20-13(23)14(24)21-6-4-2-1-3-5-7-21/h8-9H,1-7H2,(H,19,22)(H,20,23)
InChIKeyMDZDUXNVDSLUKH-UHFFFAOYSA-N
MW345.32 g/mol
LogP2.12
Rot. Bonds1

About 2-(azocan-1-yl)-2-oxo-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]acetamide

2-(azocan-1-yl)-2-oxo-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]acetamide (PubChem CID 56800833) has the molecular formula C15H18F3N3O3 and a molecular weight of 345.32 g/mol. Its IUPAC name is 2-(azocan-1-yl)-2-oxo-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]acetamide.

Molecular Properties

Compound Name2-(azocan-1-yl)-2-oxo-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]acetamide
PubChem CID56800833
Molecular FormulaC15H18F3N3O3
Molecular Weight345.32 g/mol
Exact Mass345.13
IUPAC Name2-(azocan-1-yl)-2-oxo-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]acetamide
SMILESO=C(Nc1cc(C(F)(F)F)c[nH]c1=O)C(=O)N1CCCCCCC1
InChIInChI=1S/C15H18F3N3O3/c16-15(17,18)10-8-11(12(22)19-9-10)20-13(23)14(24)21-6-4-2-1-3-5-7-21/h8-9H,1-7H2,(H,19,22)(H,20,23)
InChIKeyMDZDUXNVDSLUKH-UHFFFAOYSA-N
XLogP2.12
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.32
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(azocan-1-yl)-2-oxo-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]acetamide?
The IUPAC name of 2-(azocan-1-yl)-2-oxo-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]acetamide (CID 56800833) is 2-(azocan-1-yl)-2-oxo-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]acetamide.
What is the SMILES notation for 2-(azocan-1-yl)-2-oxo-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]acetamide?
The canonical SMILES for 2-(azocan-1-yl)-2-oxo-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]acetamide is O=C(Nc1cc(C(F)(F)F)c[nH]c1=O)C(=O)N1CCCCCCC1.
What is the InChIKey of 2-(azocan-1-yl)-2-oxo-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]acetamide?
The InChIKey is MDZDUXNVDSLUKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N3O3/c16-15(17,18)10-8-11(12(22)19-9-10)20-13(23)14(24)21-6-4-2-1-3-5-7-21/h8-9H,1-7H2,(H,19,22)(H,20,23).
What are the key properties of 2-(azocan-1-yl)-2-oxo-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]acetamide?
2-(azocan-1-yl)-2-oxo-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]acetamide has a molecular weight of 345.32 g/mol, XLogP of 2.12, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azocan-1-yl)-2-oxo-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]acetamide is sourced from PubChem (CID 56800833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).