N-(2-methoxyethyl)-5-methyl-9-oxo-1-(pyridin-2-ylmethylamino)-10H-acridine-4-carboxamide

C24H24N4O3 — CID 118730875

IUPACN-(2-methoxyethyl)-5-methyl-9-oxo-1-(pyridin-2-ylmethylamino)-10H-acridine-4-carboxamide
SMILESCOCCNC(=O)c1ccc(NCc2ccccn2)c2c(=O)c3cccc(C)c3[nH]c12
InChIInChI=1S/C24H24N4O3/c1-15-6-5-8-17-21(15)28-22-18(24(30)26-12-13-31-2)9-10-19(20(22)23(17)29)27-14-16-7-3-4-11-25-16/h3-11,27H,12-14H2,1-2H3,(H,26,30)(H,28,29)
InChIKeyRGVHYXXHQHEUHW-UHFFFAOYSA-N
MW416.48 g/mol
LogP3.37
Rot. Bonds7

About N-(2-methoxyethyl)-5-methyl-9-oxo-1-(pyridin-2-ylmethylamino)-10H-acridine-4-carboxamide

N-(2-methoxyethyl)-5-methyl-9-oxo-1-(pyridin-2-ylmethylamino)-10H-acridine-4-carboxamide (PubChem CID 118730875) has the molecular formula C24H24N4O3 and a molecular weight of 416.48 g/mol. Its IUPAC name is N-(2-methoxyethyl)-5-methyl-9-oxo-1-(pyridin-2-ylmethylamino)-10H-acridine-4-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-5-methyl-9-oxo-1-(pyridin-2-ylmethylamino)-10H-acridine-4-carboxamide
PubChem CID118730875
Molecular FormulaC24H24N4O3
Molecular Weight416.48 g/mol
Exact Mass416.18
IUPAC NameN-(2-methoxyethyl)-5-methyl-9-oxo-1-(pyridin-2-ylmethylamino)-10H-acridine-4-carboxamide
SMILESCOCCNC(=O)c1ccc(NCc2ccccn2)c2c(=O)c3cccc(C)c3[nH]c12
InChIInChI=1S/C24H24N4O3/c1-15-6-5-8-17-21(15)28-22-18(24(30)26-12-13-31-2)9-10-19(20(22)23(17)29)27-14-16-7-3-4-11-25-16/h3-11,27H,12-14H2,1-2H3,(H,26,30)(H,28,29)
InChIKeyRGVHYXXHQHEUHW-UHFFFAOYSA-N
XLogP3.37
TPSA96.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.48
LogP ≤ 53.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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-(2-methoxyethyl)-5-methyl-9-oxo-1-(pyridin-2-ylmethylamino)-10H-acridine-4-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-5-methyl-9-oxo-1-(pyridin-2-ylmethylamino)-10H-acridine-4-carboxamide (CID 118730875) is N-(2-methoxyethyl)-5-methyl-9-oxo-1-(pyridin-2-ylmethylamino)-10H-acridine-4-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-5-methyl-9-oxo-1-(pyridin-2-ylmethylamino)-10H-acridine-4-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-5-methyl-9-oxo-1-(pyridin-2-ylmethylamino)-10H-acridine-4-carboxamide is COCCNC(=O)c1ccc(NCc2ccccn2)c2c(=O)c3cccc(C)c3[nH]c12.
What is the InChIKey of N-(2-methoxyethyl)-5-methyl-9-oxo-1-(pyridin-2-ylmethylamino)-10H-acridine-4-carboxamide?
The InChIKey is RGVHYXXHQHEUHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O3/c1-15-6-5-8-17-21(15)28-22-18(24(30)26-12-13-31-2)9-10-19(20(22)23(17)29)27-14-16-7-3-4-11-25-16/h3-11,27H,12-14H2,1-2H3,(H,26,30)(H,28,29).
What are the key properties of N-(2-methoxyethyl)-5-methyl-9-oxo-1-(pyridin-2-ylmethylamino)-10H-acridine-4-carboxamide?
N-(2-methoxyethyl)-5-methyl-9-oxo-1-(pyridin-2-ylmethylamino)-10H-acridine-4-carboxamide has a molecular weight of 416.48 g/mol, XLogP of 3.37, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-5-methyl-9-oxo-1-(pyridin-2-ylmethylamino)-10H-acridine-4-carboxamide is sourced from PubChem (CID 118730875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).