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

C18H15N3O2 — CID 142264774

IUPACN-(2-cyanopropan-2-yl)-9-oxo-10H-acridine-3-carboxamide
SMILESCC(C)(C#N)NC(=O)c1ccc2c(=O)c3ccccc3[nH]c2c1
InChIInChI=1S/C18H15N3O2/c1-18(2,10-19)21-17(23)11-7-8-13-15(9-11)20-14-6-4-3-5-12(14)16(13)22/h3-9H,1-2H3,(H,20,22)(H,21,23)
InChIKeyRUSJNQXQOSKURL-UHFFFAOYSA-N
MW305.34 g/mol
LogP2.71
Rot. Bonds2

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

N-(2-cyanopropan-2-yl)-9-oxo-10H-acridine-3-carboxamide (PubChem CID 142264774) has the molecular formula C18H15N3O2 and a molecular weight of 305.34 g/mol. Its IUPAC name is N-(2-cyanopropan-2-yl)-9-oxo-10H-acridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-cyanopropan-2-yl)-9-oxo-10H-acridine-3-carboxamide
PubChem CID142264774
Molecular FormulaC18H15N3O2
Molecular Weight305.34 g/mol
Exact Mass305.12
IUPAC NameN-(2-cyanopropan-2-yl)-9-oxo-10H-acridine-3-carboxamide
SMILESCC(C)(C#N)NC(=O)c1ccc2c(=O)c3ccccc3[nH]c2c1
InChIInChI=1S/C18H15N3O2/c1-18(2,10-19)21-17(23)11-7-8-13-15(9-11)20-14-6-4-3-5-12(14)16(13)22/h3-9H,1-2H3,(H,20,22)(H,21,23)
InChIKeyRUSJNQXQOSKURL-UHFFFAOYSA-N
XLogP2.71
TPSA85.75 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 52.71
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 N-(2-cyanopropan-2-yl)-9-oxo-10H-acridine-3-carboxamide?
The IUPAC name of N-(2-cyanopropan-2-yl)-9-oxo-10H-acridine-3-carboxamide (CID 142264774) is N-(2-cyanopropan-2-yl)-9-oxo-10H-acridine-3-carboxamide.
What is the SMILES notation for N-(2-cyanopropan-2-yl)-9-oxo-10H-acridine-3-carboxamide?
The canonical SMILES for N-(2-cyanopropan-2-yl)-9-oxo-10H-acridine-3-carboxamide is CC(C)(C#N)NC(=O)c1ccc2c(=O)c3ccccc3[nH]c2c1.
What is the InChIKey of N-(2-cyanopropan-2-yl)-9-oxo-10H-acridine-3-carboxamide?
The InChIKey is RUSJNQXQOSKURL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O2/c1-18(2,10-19)21-17(23)11-7-8-13-15(9-11)20-14-6-4-3-5-12(14)16(13)22/h3-9H,1-2H3,(H,20,22)(H,21,23).
What are the key properties of N-(2-cyanopropan-2-yl)-9-oxo-10H-acridine-3-carboxamide?
N-(2-cyanopropan-2-yl)-9-oxo-10H-acridine-3-carboxamide has a molecular weight of 305.34 g/mol, XLogP of 2.71, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanopropan-2-yl)-9-oxo-10H-acridine-3-carboxamide is sourced from PubChem (CID 142264774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).