N-(5-bromo-2-pyridinyl)-4-(2-methyl-9-oxoacridin-10-yl)butanamide

C23H20BrN3O2 — CID 15994058

IUPACN-(5-bromo-2-pyridinyl)-4-(2-methyl-9-oxoacridin-10-yl)butanamide
SMILESCc1ccc2c(c1)c(=O)c1ccccc1n2CCCC(=O)Nc1ccc(Br)cn1
InChIInChI=1S/C23H20BrN3O2/c1-15-8-10-20-18(13-15)23(29)17-5-2-3-6-19(17)27(20)12-4-7-22(28)26-21-11-9-16(24)14-25-21/h2-3,5-6,8-11,13-14H,4,7,12H2,1H3,(H,25,26,28)
InChIKeyWUPXJILYRAQWHW-UHFFFAOYSA-N
MW450.34 g/mol
LogP5.04
Rot. Bonds5

About N-(5-bromo-2-pyridinyl)-4-(2-methyl-9-oxoacridin-10-yl)butanamide

N-(5-bromo-2-pyridinyl)-4-(2-methyl-9-oxoacridin-10-yl)butanamide (PubChem CID 15994058) has the molecular formula C23H20BrN3O2 and a molecular weight of 450.34 g/mol. Its IUPAC name is N-(5-bromo-2-pyridinyl)-4-(2-methyl-9-oxoacridin-10-yl)butanamide.

Molecular Properties

Compound NameN-(5-bromo-2-pyridinyl)-4-(2-methyl-9-oxoacridin-10-yl)butanamide
PubChem CID15994058
Molecular FormulaC23H20BrN3O2
Molecular Weight450.34 g/mol
Exact Mass449.07
IUPAC NameN-(5-bromo-2-pyridinyl)-4-(2-methyl-9-oxoacridin-10-yl)butanamide
SMILESCc1ccc2c(c1)c(=O)c1ccccc1n2CCCC(=O)Nc1ccc(Br)cn1
InChIInChI=1S/C23H20BrN3O2/c1-15-8-10-20-18(13-15)23(29)17-5-2-3-6-19(17)27(20)12-4-7-22(28)26-21-11-9-16(24)14-25-21/h2-3,5-6,8-11,13-14H,4,7,12H2,1H3,(H,25,26,28)
InChIKeyWUPXJILYRAQWHW-UHFFFAOYSA-N
XLogP5.04
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.34
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(5-bromo-2-pyridinyl)-4-(2-methyl-9-oxoacridin-10-yl)butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-pyridinyl)-4-(2-methyl-9-oxoacridin-10-yl)butanamide?
The IUPAC name of N-(5-bromo-2-pyridinyl)-4-(2-methyl-9-oxoacridin-10-yl)butanamide (CID 15994058) is N-(5-bromo-2-pyridinyl)-4-(2-methyl-9-oxoacridin-10-yl)butanamide.
What is the SMILES notation for N-(5-bromo-2-pyridinyl)-4-(2-methyl-9-oxoacridin-10-yl)butanamide?
The canonical SMILES for N-(5-bromo-2-pyridinyl)-4-(2-methyl-9-oxoacridin-10-yl)butanamide is Cc1ccc2c(c1)c(=O)c1ccccc1n2CCCC(=O)Nc1ccc(Br)cn1.
What is the InChIKey of N-(5-bromo-2-pyridinyl)-4-(2-methyl-9-oxoacridin-10-yl)butanamide?
The InChIKey is WUPXJILYRAQWHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20BrN3O2/c1-15-8-10-20-18(13-15)23(29)17-5-2-3-6-19(17)27(20)12-4-7-22(28)26-21-11-9-16(24)14-25-21/h2-3,5-6,8-11,13-14H,4,7,12H2,1H3,(H,25,26,28).
What are the key properties of N-(5-bromo-2-pyridinyl)-4-(2-methyl-9-oxoacridin-10-yl)butanamide?
N-(5-bromo-2-pyridinyl)-4-(2-methyl-9-oxoacridin-10-yl)butanamide has a molecular weight of 450.34 g/mol, XLogP of 5.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-pyridinyl)-4-(2-methyl-9-oxoacridin-10-yl)butanamide is sourced from PubChem (CID 15994058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).