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

C19H16N4O2 — CID 71552095

IUPACN-(4-cyano-3-methylphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
SMILESCc1cc(NC(=O)Cc2nn(C)c(=O)c3ccccc23)ccc1C#N
InChIInChI=1S/C19H16N4O2/c1-12-9-14(8-7-13(12)11-20)21-18(24)10-17-15-5-3-4-6-16(15)19(25)23(2)22-17/h3-9H,10H2,1-2H3,(H,21,24)
InChIKeyCEPAJPMUOJNHKP-UHFFFAOYSA-N
MW332.36 g/mol
LogP2.29
Rot. Bonds3

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

N-(4-cyano-3-methylphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide (PubChem CID 71552095) has the molecular formula C19H16N4O2 and a molecular weight of 332.36 g/mol. Its IUPAC name is N-(4-cyano-3-methylphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-cyano-3-methylphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
PubChem CID71552095
Molecular FormulaC19H16N4O2
Molecular Weight332.36 g/mol
Exact Mass332.13
IUPAC NameN-(4-cyano-3-methylphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
SMILESCc1cc(NC(=O)Cc2nn(C)c(=O)c3ccccc23)ccc1C#N
InChIInChI=1S/C19H16N4O2/c1-12-9-14(8-7-13(12)11-20)21-18(24)10-17-15-5-3-4-6-16(15)19(25)23(2)22-17/h3-9H,10H2,1-2H3,(H,21,24)
InChIKeyCEPAJPMUOJNHKP-UHFFFAOYSA-N
XLogP2.29
TPSA87.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-cyano-3-methylphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide?
The IUPAC name of N-(4-cyano-3-methylphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide (CID 71552095) is N-(4-cyano-3-methylphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide.
What is the SMILES notation for N-(4-cyano-3-methylphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide?
The canonical SMILES for N-(4-cyano-3-methylphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide is Cc1cc(NC(=O)Cc2nn(C)c(=O)c3ccccc23)ccc1C#N.
What is the InChIKey of N-(4-cyano-3-methylphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide?
The InChIKey is CEPAJPMUOJNHKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O2/c1-12-9-14(8-7-13(12)11-20)21-18(24)10-17-15-5-3-4-6-16(15)19(25)23(2)22-17/h3-9H,10H2,1-2H3,(H,21,24).
What are the key properties of N-(4-cyano-3-methylphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide?
N-(4-cyano-3-methylphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide has a molecular weight of 332.36 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyano-3-methylphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide is sourced from PubChem (CID 71552095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).