N-methyl-4-[(4-methylphthalazin-1-yl)amino]benzamide

C17H16N4O — CID 626021

IUPACN-methyl-4-[(4-methylphthalazin-1-yl)amino]benzamide
SMILESCNC(=O)c1ccc(Nc2nnc(C)c3ccccc23)cc1
InChIInChI=1S/C17H16N4O/c1-11-14-5-3-4-6-15(14)16(21-20-11)19-13-9-7-12(8-10-13)17(22)18-2/h3-10H,1-2H3,(H,18,22)(H,19,21)
InChIKeyNKSJSQOMIUMNBT-UHFFFAOYSA-N
MW292.34 g/mol
LogP3.04
Rot. Bonds3

About N-methyl-4-[(4-methylphthalazin-1-yl)amino]benzamide

N-methyl-4-[(4-methylphthalazin-1-yl)amino]benzamide (PubChem CID 626021) has the molecular formula C17H16N4O and a molecular weight of 292.34 g/mol. Its IUPAC name is N-methyl-4-[(4-methylphthalazin-1-yl)amino]benzamide.

Molecular Properties

Compound NameN-methyl-4-[(4-methylphthalazin-1-yl)amino]benzamide
PubChem CID626021
Molecular FormulaC17H16N4O
Molecular Weight292.34 g/mol
Exact Mass292.13
IUPAC NameN-methyl-4-[(4-methylphthalazin-1-yl)amino]benzamide
SMILESCNC(=O)c1ccc(Nc2nnc(C)c3ccccc23)cc1
InChIInChI=1S/C17H16N4O/c1-11-14-5-3-4-6-15(14)16(21-20-11)19-13-9-7-12(8-10-13)17(22)18-2/h3-10H,1-2H3,(H,18,22)(H,19,21)
InChIKeyNKSJSQOMIUMNBT-UHFFFAOYSA-N
XLogP3.04
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[(4-methylphthalazin-1-yl)amino]benzamide?
The IUPAC name of N-methyl-4-[(4-methylphthalazin-1-yl)amino]benzamide (CID 626021) is N-methyl-4-[(4-methylphthalazin-1-yl)amino]benzamide.
What is the SMILES notation for N-methyl-4-[(4-methylphthalazin-1-yl)amino]benzamide?
The canonical SMILES for N-methyl-4-[(4-methylphthalazin-1-yl)amino]benzamide is CNC(=O)c1ccc(Nc2nnc(C)c3ccccc23)cc1.
What is the InChIKey of N-methyl-4-[(4-methylphthalazin-1-yl)amino]benzamide?
The InChIKey is NKSJSQOMIUMNBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O/c1-11-14-5-3-4-6-15(14)16(21-20-11)19-13-9-7-12(8-10-13)17(22)18-2/h3-10H,1-2H3,(H,18,22)(H,19,21).
What are the key properties of N-methyl-4-[(4-methylphthalazin-1-yl)amino]benzamide?
N-methyl-4-[(4-methylphthalazin-1-yl)amino]benzamide has a molecular weight of 292.34 g/mol, XLogP of 3.04, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[(4-methylphthalazin-1-yl)amino]benzamide is sourced from PubChem (CID 626021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).