N-(4-cyanophenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide

C18H14N4O2 — CID 26700918

IUPACN-(4-cyanophenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
SMILESCn1nc(CC(=O)Nc2ccc(C#N)cc2)c2ccccc2c1=O
InChIInChI=1S/C18H14N4O2/c1-22-18(24)15-5-3-2-4-14(15)16(21-22)10-17(23)20-13-8-6-12(11-19)7-9-13/h2-9H,10H2,1H3,(H,20,23)
InChIKeyLMZNGBHZTQHRNO-UHFFFAOYSA-N
MW318.34 g/mol
LogP1.99
Rot. Bonds3

About N-(4-cyanophenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide

N-(4-cyanophenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide (PubChem CID 26700918) has the molecular formula C18H14N4O2 and a molecular weight of 318.34 g/mol. Its IUPAC name is N-(4-cyanophenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
PubChem CID26700918
Molecular FormulaC18H14N4O2
Molecular Weight318.34 g/mol
Exact Mass318.11
IUPAC NameN-(4-cyanophenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
SMILESCn1nc(CC(=O)Nc2ccc(C#N)cc2)c2ccccc2c1=O
InChIInChI=1S/C18H14N4O2/c1-22-18(24)15-5-3-2-4-14(15)16(21-22)10-17(23)20-13-8-6-12(11-19)7-9-13/h2-9H,10H2,1H3,(H,20,23)
InChIKeyLMZNGBHZTQHRNO-UHFFFAOYSA-N
XLogP1.99
TPSA87.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.34
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Enpp-1-IN-19
CID 157040072
3-methyl-4-oxo-N-[3-(trifluoromethyl)phenyl]phthalazine-1-carboxamide
CID 970816
N-(4-fluorophenyl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 709340
4-Methyl-2-phenyl-2H-phthalazin-1-one
CID 245552
2-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)-N-(4-methylphenyl)acetamide
CID 600118
4-(anilinomethyl)-1(2H)-phthalazinone
CID 1482294
N-{4-[(4R)-4-methyl-6-oxo-1,4,5,6-tetrahydropyridazin-3-yl]phenyl}-2-(trifluoromethyl)benzamide
CID 23647030
N-{4-[(4S)-4-methyl-6-oxo-1,4,5,6-tetrahydropyridazin-3-yl]phenyl}benzamide
CID 23647043
N-[3-(4-cyanophenyl)phenyl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
CID 71453773
3-(2-cyanopropan-2-yl)-N-[2-fluoro-4-methyl-5-(2-methyl-1-oxophthalazin-6-yl)phenyl]benzamide
CID 162658234
N-(4-ethylphenyl)-4-oxo-3H-phthalazine-1-carboxamide
CID 756039
3-methyl-4-oxo-N-(2-pyrrolidin-1-ylphenyl)phthalazine-1-carboxamide
CID 2714733

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide?
The IUPAC name of N-(4-cyanophenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide (CID 26700918) is N-(4-cyanophenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide.
What is the SMILES notation for N-(4-cyanophenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide?
The canonical SMILES for N-(4-cyanophenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide is Cn1nc(CC(=O)Nc2ccc(C#N)cc2)c2ccccc2c1=O.
What is the InChIKey of N-(4-cyanophenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide?
The InChIKey is LMZNGBHZTQHRNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O2/c1-22-18(24)15-5-3-2-4-14(15)16(21-22)10-17(23)20-13-8-6-12(11-19)7-9-13/h2-9H,10H2,1H3,(H,20,23).
What are the key properties of N-(4-cyanophenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide?
N-(4-cyanophenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide has a molecular weight of 318.34 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide is sourced from PubChem (CID 26700918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).