N-(1-adamantyl)-9-aminoacridine-4-carboxamide

C24H25N3O — CID 10361870

IUPACN-(1-adamantyl)-9-aminoacridine-4-carboxamide
SMILESNc1c2ccccc2nc2c(C(=O)NC34CC5CC(CC(C5)C3)C4)cccc12
InChIInChI=1S/C24H25N3O/c25-21-17-4-1-2-7-20(17)26-22-18(21)5-3-6-19(22)23(28)27-24-11-14-8-15(12-24)10-16(9-14)13-24/h1-7,14-16H,8-13H2,(H2,25,26)(H,27,28)
InChIKeyBDUFLWJAOHURBE-UHFFFAOYSA-N
MW371.48 g/mol
LogP4.67
Rot. Bonds2

About N-(1-adamantyl)-9-aminoacridine-4-carboxamide

N-(1-adamantyl)-9-aminoacridine-4-carboxamide (PubChem CID 10361870) has the molecular formula C24H25N3O and a molecular weight of 371.48 g/mol. Its IUPAC name is N-(1-adamantyl)-9-aminoacridine-4-carboxamide.

Molecular Properties

Compound NameN-(1-adamantyl)-9-aminoacridine-4-carboxamide
PubChem CID10361870
Molecular FormulaC24H25N3O
Molecular Weight371.48 g/mol
Exact Mass371.20
IUPAC NameN-(1-adamantyl)-9-aminoacridine-4-carboxamide
SMILESNc1c2ccccc2nc2c(C(=O)NC34CC5CC(CC(C5)C3)C4)cccc12
InChIInChI=1S/C24H25N3O/c25-21-17-4-1-2-7-20(17)26-22-18(21)5-3-6-19(22)23(28)27-24-11-14-8-15(12-24)10-16(9-14)13-24/h1-7,14-16H,8-13H2,(H2,25,26)(H,27,28)
InChIKeyBDUFLWJAOHURBE-UHFFFAOYSA-N
XLogP4.67
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'amino_acridine_A(46)', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-9-aminoacridine-4-carboxamide?
The IUPAC name of N-(1-adamantyl)-9-aminoacridine-4-carboxamide (CID 10361870) is N-(1-adamantyl)-9-aminoacridine-4-carboxamide.
What is the SMILES notation for N-(1-adamantyl)-9-aminoacridine-4-carboxamide?
The canonical SMILES for N-(1-adamantyl)-9-aminoacridine-4-carboxamide is Nc1c2ccccc2nc2c(C(=O)NC34CC5CC(CC(C5)C3)C4)cccc12.
What is the InChIKey of N-(1-adamantyl)-9-aminoacridine-4-carboxamide?
The InChIKey is BDUFLWJAOHURBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O/c25-21-17-4-1-2-7-20(17)26-22-18(21)5-3-6-19(22)23(28)27-24-11-14-8-15(12-24)10-16(9-14)13-24/h1-7,14-16H,8-13H2,(H2,25,26)(H,27,28).
What are the key properties of N-(1-adamantyl)-9-aminoacridine-4-carboxamide?
N-(1-adamantyl)-9-aminoacridine-4-carboxamide has a molecular weight of 371.48 g/mol, XLogP of 4.67, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-9-aminoacridine-4-carboxamide is sourced from PubChem (CID 10361870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).