N-(5-bromo-2-pyridinyl)-2-(2-methoxy-9-oxoacridin-10-yl)acetamide

C21H16BrN3O3 — CID 15997885

IUPACN-(5-bromo-2-pyridinyl)-2-(2-methoxy-9-oxoacridin-10-yl)acetamide
SMILESCOc1ccc2c(c1)c(=O)c1ccccc1n2CC(=O)Nc1ccc(Br)cn1
InChIInChI=1S/C21H16BrN3O3/c1-28-14-7-8-18-16(10-14)21(27)15-4-2-3-5-17(15)25(18)12-20(26)24-19-9-6-13(22)11-23-19/h2-11H,12H2,1H3,(H,23,24,26)
InChIKeyKGPLLZZHPVSBJY-UHFFFAOYSA-N
MW438.28 g/mol
LogP3.96
Rot. Bonds4

About N-(5-bromo-2-pyridinyl)-2-(2-methoxy-9-oxoacridin-10-yl)acetamide

N-(5-bromo-2-pyridinyl)-2-(2-methoxy-9-oxoacridin-10-yl)acetamide (PubChem CID 15997885) has the molecular formula C21H16BrN3O3 and a molecular weight of 438.28 g/mol. Its IUPAC name is N-(5-bromo-2-pyridinyl)-2-(2-methoxy-9-oxoacridin-10-yl)acetamide.

Molecular Properties

Compound NameN-(5-bromo-2-pyridinyl)-2-(2-methoxy-9-oxoacridin-10-yl)acetamide
PubChem CID15997885
Molecular FormulaC21H16BrN3O3
Molecular Weight438.28 g/mol
Exact Mass437.04
IUPAC NameN-(5-bromo-2-pyridinyl)-2-(2-methoxy-9-oxoacridin-10-yl)acetamide
SMILESCOc1ccc2c(c1)c(=O)c1ccccc1n2CC(=O)Nc1ccc(Br)cn1
InChIInChI=1S/C21H16BrN3O3/c1-28-14-7-8-18-16(10-14)21(27)15-4-2-3-5-17(15)25(18)12-20(26)24-19-9-6-13(22)11-23-19/h2-11H,12H2,1H3,(H,23,24,26)
InChIKeyKGPLLZZHPVSBJY-UHFFFAOYSA-N
XLogP3.96
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.28
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methoxy-9-oxoacridin-10-yl)-N-(3-methoxyphenyl)acetamide
CID 15992736
N-(5-bromo-2-pyridinyl)-4-(2-methyl-9-oxoacridin-10-yl)butanamide
CID 15994058
2-(2-methoxy-9-oxoacridin-10-yl)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 6616693
N-(5-bromo-2-pyridinyl)-2-(5-methoxyindol-1-yl)acetamide
CID 29139061
N-(2-chloro-4-fluorophenyl)-2-(2-methoxy-9-oxoacridin-10-yl)acetamide
CID 6616650
N-(5-bromo-2-pyridinyl)-2-(2-methylsulfonylbenzimidazol-1-yl)acetamide
CID 38991133
1-(5-bromo-2-pyridinyl)-3-[(4-methoxyphenyl)methyl]urea
CID 108868273
N-(5-bromo-2-pyridinyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide
CID 6467505
N-(5-chloro-2-methoxyphenyl)-2-(2-methyl-9-oxoacridin-10-yl)acetamide
CID 22330285
N-(3-bromo-2-ethoxy-5-fluorophenyl)-2-(9-oxoacridin-10-yl)acetamide
CID 25333504
2-(2-fluoro-9-oxoacridin-10-yl)-N-phenylacetamide
CID 166637503
ethyl 6-(2-methoxy-9-oxoacridin-10-yl)hexanoate
CID 66663531

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-pyridinyl)-2-(2-methoxy-9-oxoacridin-10-yl)acetamide?
The IUPAC name of N-(5-bromo-2-pyridinyl)-2-(2-methoxy-9-oxoacridin-10-yl)acetamide (CID 15997885) is N-(5-bromo-2-pyridinyl)-2-(2-methoxy-9-oxoacridin-10-yl)acetamide.
What is the SMILES notation for N-(5-bromo-2-pyridinyl)-2-(2-methoxy-9-oxoacridin-10-yl)acetamide?
The canonical SMILES for N-(5-bromo-2-pyridinyl)-2-(2-methoxy-9-oxoacridin-10-yl)acetamide is COc1ccc2c(c1)c(=O)c1ccccc1n2CC(=O)Nc1ccc(Br)cn1.
What is the InChIKey of N-(5-bromo-2-pyridinyl)-2-(2-methoxy-9-oxoacridin-10-yl)acetamide?
The InChIKey is KGPLLZZHPVSBJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16BrN3O3/c1-28-14-7-8-18-16(10-14)21(27)15-4-2-3-5-17(15)25(18)12-20(26)24-19-9-6-13(22)11-23-19/h2-11H,12H2,1H3,(H,23,24,26).
What are the key properties of N-(5-bromo-2-pyridinyl)-2-(2-methoxy-9-oxoacridin-10-yl)acetamide?
N-(5-bromo-2-pyridinyl)-2-(2-methoxy-9-oxoacridin-10-yl)acetamide has a molecular weight of 438.28 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-pyridinyl)-2-(2-methoxy-9-oxoacridin-10-yl)acetamide is sourced from PubChem (CID 15997885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).