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

C22H19N3O2 — CID 16748020

IUPAC9-oxo-N-(2-pyridin-3-ylpropan-2-yl)-10H-acridine-3-carboxamide
SMILESCC(C)(NC(=O)c1ccc2c(=O)c3ccccc3[nH]c2c1)c1cccnc1
InChIInChI=1S/C22H19N3O2/c1-22(2,15-6-5-11-23-13-15)25-21(27)14-9-10-17-19(12-14)24-18-8-4-3-7-16(18)20(17)26/h3-13H,1-2H3,(H,24,26)(H,25,27)
InChIKeyYYEOSFROTOAGCS-UHFFFAOYSA-N
MW357.41 g/mol
LogP3.74
Rot. Bonds3

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

9-oxo-N-(2-pyridin-3-ylpropan-2-yl)-10H-acridine-3-carboxamide (PubChem CID 16748020) has the molecular formula C22H19N3O2 and a molecular weight of 357.41 g/mol. Its IUPAC name is 9-oxo-N-(2-pyridin-3-ylpropan-2-yl)-10H-acridine-3-carboxamide.

Molecular Properties

Compound Name9-oxo-N-(2-pyridin-3-ylpropan-2-yl)-10H-acridine-3-carboxamide
PubChem CID16748020
Molecular FormulaC22H19N3O2
Molecular Weight357.41 g/mol
Exact Mass357.15
IUPAC Name9-oxo-N-(2-pyridin-3-ylpropan-2-yl)-10H-acridine-3-carboxamide
SMILESCC(C)(NC(=O)c1ccc2c(=O)c3ccccc3[nH]c2c1)c1cccnc1
InChIInChI=1S/C22H19N3O2/c1-22(2,15-6-5-11-23-13-15)25-21(27)14-9-10-17-19(12-14)24-18-8-4-3-7-16(18)20(17)26/h3-13H,1-2H3,(H,24,26)(H,25,27)
InChIKeyYYEOSFROTOAGCS-UHFFFAOYSA-N
XLogP3.74
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 53.74
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 9-oxo-N-(2-pyridin-3-ylpropan-2-yl)-10H-acridine-3-carboxamide?
The IUPAC name of 9-oxo-N-(2-pyridin-3-ylpropan-2-yl)-10H-acridine-3-carboxamide (CID 16748020) is 9-oxo-N-(2-pyridin-3-ylpropan-2-yl)-10H-acridine-3-carboxamide.
What is the SMILES notation for 9-oxo-N-(2-pyridin-3-ylpropan-2-yl)-10H-acridine-3-carboxamide?
The canonical SMILES for 9-oxo-N-(2-pyridin-3-ylpropan-2-yl)-10H-acridine-3-carboxamide is CC(C)(NC(=O)c1ccc2c(=O)c3ccccc3[nH]c2c1)c1cccnc1.
What is the InChIKey of 9-oxo-N-(2-pyridin-3-ylpropan-2-yl)-10H-acridine-3-carboxamide?
The InChIKey is YYEOSFROTOAGCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O2/c1-22(2,15-6-5-11-23-13-15)25-21(27)14-9-10-17-19(12-14)24-18-8-4-3-7-16(18)20(17)26/h3-13H,1-2H3,(H,24,26)(H,25,27).
What are the key properties of 9-oxo-N-(2-pyridin-3-ylpropan-2-yl)-10H-acridine-3-carboxamide?
9-oxo-N-(2-pyridin-3-ylpropan-2-yl)-10H-acridine-3-carboxamide has a molecular weight of 357.41 g/mol, XLogP of 3.74, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-oxo-N-(2-pyridin-3-ylpropan-2-yl)-10H-acridine-3-carboxamide is sourced from PubChem (CID 16748020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).