2-fluoro-9-oxo-N-(2-pyridin-3-ylpropan-2-yl)-10H-acridine-3-carboxamide

C22H18FN3O2 — CID 16748022

IUPAC2-fluoro-9-oxo-N-(2-pyridin-3-ylpropan-2-yl)-10H-acridine-3-carboxamide
SMILESCC(C)(NC(=O)c1cc2[nH]c3ccccc3c(=O)c2cc1F)c1cccnc1
InChIInChI=1S/C22H18FN3O2/c1-22(2,13-6-5-9-24-12-13)26-21(28)15-11-19-16(10-17(15)23)20(27)14-7-3-4-8-18(14)25-19/h3-12H,1-2H3,(H,25,27)(H,26,28)
InChIKeyNASUSRHDQBACRQ-UHFFFAOYSA-N
MW375.40 g/mol
LogP3.88
Rot. Bonds3

About 2-fluoro-9-oxo-N-(2-pyridin-3-ylpropan-2-yl)-10H-acridine-3-carboxamide

2-fluoro-9-oxo-N-(2-pyridin-3-ylpropan-2-yl)-10H-acridine-3-carboxamide (PubChem CID 16748022) has the molecular formula C22H18FN3O2 and a molecular weight of 375.40 g/mol. Its IUPAC name is 2-fluoro-9-oxo-N-(2-pyridin-3-ylpropan-2-yl)-10H-acridine-3-carboxamide.

Molecular Properties

Compound Name2-fluoro-9-oxo-N-(2-pyridin-3-ylpropan-2-yl)-10H-acridine-3-carboxamide
PubChem CID16748022
Molecular FormulaC22H18FN3O2
Molecular Weight375.40 g/mol
Exact Mass375.14
IUPAC Name2-fluoro-9-oxo-N-(2-pyridin-3-ylpropan-2-yl)-10H-acridine-3-carboxamide
SMILESCC(C)(NC(=O)c1cc2[nH]c3ccccc3c(=O)c2cc1F)c1cccnc1
InChIInChI=1S/C22H18FN3O2/c1-22(2,13-6-5-9-24-12-13)26-21(28)15-11-19-16(10-17(15)23)20(27)14-7-3-4-8-18(14)25-19/h3-12H,1-2H3,(H,25,27)(H,26,28)
InChIKeyNASUSRHDQBACRQ-UHFFFAOYSA-N
XLogP3.88
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.40
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-9-oxo-N-(2-pyridin-3-ylpropan-2-yl)-10H-acridine-3-carboxamide?
The IUPAC name of 2-fluoro-9-oxo-N-(2-pyridin-3-ylpropan-2-yl)-10H-acridine-3-carboxamide (CID 16748022) is 2-fluoro-9-oxo-N-(2-pyridin-3-ylpropan-2-yl)-10H-acridine-3-carboxamide.
What is the SMILES notation for 2-fluoro-9-oxo-N-(2-pyridin-3-ylpropan-2-yl)-10H-acridine-3-carboxamide?
The canonical SMILES for 2-fluoro-9-oxo-N-(2-pyridin-3-ylpropan-2-yl)-10H-acridine-3-carboxamide is CC(C)(NC(=O)c1cc2[nH]c3ccccc3c(=O)c2cc1F)c1cccnc1.
What is the InChIKey of 2-fluoro-9-oxo-N-(2-pyridin-3-ylpropan-2-yl)-10H-acridine-3-carboxamide?
The InChIKey is NASUSRHDQBACRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN3O2/c1-22(2,13-6-5-9-24-12-13)26-21(28)15-11-19-16(10-17(15)23)20(27)14-7-3-4-8-18(14)25-19/h3-12H,1-2H3,(H,25,27)(H,26,28).
What are the key properties of 2-fluoro-9-oxo-N-(2-pyridin-3-ylpropan-2-yl)-10H-acridine-3-carboxamide?
2-fluoro-9-oxo-N-(2-pyridin-3-ylpropan-2-yl)-10H-acridine-3-carboxamide has a molecular weight of 375.40 g/mol, XLogP of 3.88, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-9-oxo-N-(2-pyridin-3-ylpropan-2-yl)-10H-acridine-3-carboxamide is sourced from PubChem (CID 16748022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).