2-cyano-N-(6,8-dimethyl-9-oxo-10H-acridin-4-yl)acetamide

C18H15N3O2 — CID 168524142

IUPAC2-cyano-N-(6,8-dimethyl-9-oxo-10H-acridin-4-yl)acetamide
SMILESCc1cc(C)c2c(=O)c3cccc(NC(=O)CC#N)c3[nH]c2c1
InChIInChI=1S/C18H15N3O2/c1-10-8-11(2)16-14(9-10)21-17-12(18(16)23)4-3-5-13(17)20-15(22)6-7-19/h3-5,8-9H,6H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyADIQPEVFVVMCAD-UHFFFAOYSA-N
MW305.34 g/mol
LogP3.15
Rot. Bonds2

About 2-cyano-N-(6,8-dimethyl-9-oxo-10H-acridin-4-yl)acetamide

2-cyano-N-(6,8-dimethyl-9-oxo-10H-acridin-4-yl)acetamide (PubChem CID 168524142) has the molecular formula C18H15N3O2 and a molecular weight of 305.34 g/mol. Its IUPAC name is 2-cyano-N-(6,8-dimethyl-9-oxo-10H-acridin-4-yl)acetamide.

Molecular Properties

Compound Name2-cyano-N-(6,8-dimethyl-9-oxo-10H-acridin-4-yl)acetamide
PubChem CID168524142
Molecular FormulaC18H15N3O2
Molecular Weight305.34 g/mol
Exact Mass305.12
IUPAC Name2-cyano-N-(6,8-dimethyl-9-oxo-10H-acridin-4-yl)acetamide
SMILESCc1cc(C)c2c(=O)c3cccc(NC(=O)CC#N)c3[nH]c2c1
InChIInChI=1S/C18H15N3O2/c1-10-8-11(2)16-14(9-10)21-17-12(18(16)23)4-3-5-13(17)20-15(22)6-7-19/h3-5,8-9H,6H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyADIQPEVFVVMCAD-UHFFFAOYSA-N
XLogP3.15
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 ≤ 53.15
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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Related Compounds

2-cyano-N-(4,6-dimethyl-2-oxo-1H-quinolin-7-yl)acetamide
CID 168522003
2-cyano-N-(2,5-dimethylphenyl)acetamide
CID 2360619
2-[(2-cyanoacetyl)amino]-N-[(3-methylphenyl)methyl]benzamide
CID 168520890
2-cyano-N-dibenzofuran-1-ylacetamide
CID 168520368
2-cyano-N-[3-methyl-2-(propan-2-ylamino)phenyl]acetamide
CID 168520610
1,3-dimethyl-10H-acridin-9-one;2-(3,5-dimethylanilino)benzoic acid
CID 162218802
2-cyano-N-(2-methylsulfanylphenyl)acetamide
CID 82672014
2-cyano-N-(1H-indazol-7-yl)acetamide
CID 110470078
2-cyano-N-[2-[[[2-(3-methylphenyl)acetyl]amino]methyl]phenyl]acetamide
CID 108923722
2-cyano-N-[3-(3-methylphenyl)phenyl]acetamide
CID 168520968
N-[2-[(2-cyanoacetyl)amino]phenyl]-2-methylbenzamide
CID 108922967
2-cyano-N-[3-[[2-(dimethylamino)acetyl]amino]-2-methylphenyl]acetamide
CID 168521728

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(6,8-dimethyl-9-oxo-10H-acridin-4-yl)acetamide?
The IUPAC name of 2-cyano-N-(6,8-dimethyl-9-oxo-10H-acridin-4-yl)acetamide (CID 168524142) is 2-cyano-N-(6,8-dimethyl-9-oxo-10H-acridin-4-yl)acetamide.
What is the SMILES notation for 2-cyano-N-(6,8-dimethyl-9-oxo-10H-acridin-4-yl)acetamide?
The canonical SMILES for 2-cyano-N-(6,8-dimethyl-9-oxo-10H-acridin-4-yl)acetamide is Cc1cc(C)c2c(=O)c3cccc(NC(=O)CC#N)c3[nH]c2c1.
What is the InChIKey of 2-cyano-N-(6,8-dimethyl-9-oxo-10H-acridin-4-yl)acetamide?
The InChIKey is ADIQPEVFVVMCAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O2/c1-10-8-11(2)16-14(9-10)21-17-12(18(16)23)4-3-5-13(17)20-15(22)6-7-19/h3-5,8-9H,6H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of 2-cyano-N-(6,8-dimethyl-9-oxo-10H-acridin-4-yl)acetamide?
2-cyano-N-(6,8-dimethyl-9-oxo-10H-acridin-4-yl)acetamide has a molecular weight of 305.34 g/mol, XLogP of 3.15, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(6,8-dimethyl-9-oxo-10H-acridin-4-yl)acetamide is sourced from PubChem (CID 168524142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).