4-[[2-(3,4-dimethyl-6-oxopyridazin-1-yl)acetyl]amino]benzamide

C15H16N4O3 — CID 56920490

IUPAC4-[[2-(3,4-dimethyl-6-oxopyridazin-1-yl)acetyl]amino]benzamide
SMILESCc1cc(=O)n(CC(=O)Nc2ccc(C(N)=O)cc2)nc1C
InChIInChI=1S/C15H16N4O3/c1-9-7-14(21)19(18-10(9)2)8-13(20)17-12-5-3-11(4-6-12)15(16)22/h3-7H,8H2,1-2H3,(H2,16,22)(H,17,20)
InChIKeyWCICWVMJMPGITH-UHFFFAOYSA-N
MW300.32 g/mol
LogP0.60
Rot. Bonds4

About 4-[[2-(3,4-dimethyl-6-oxopyridazin-1-yl)acetyl]amino]benzamide

4-[[2-(3,4-dimethyl-6-oxopyridazin-1-yl)acetyl]amino]benzamide (PubChem CID 56920490) has the molecular formula C15H16N4O3 and a molecular weight of 300.32 g/mol. Its IUPAC name is 4-[[2-(3,4-dimethyl-6-oxopyridazin-1-yl)acetyl]amino]benzamide.

Molecular Properties

Compound Name4-[[2-(3,4-dimethyl-6-oxopyridazin-1-yl)acetyl]amino]benzamide
PubChem CID56920490
Molecular FormulaC15H16N4O3
Molecular Weight300.32 g/mol
Exact Mass300.12
IUPAC Name4-[[2-(3,4-dimethyl-6-oxopyridazin-1-yl)acetyl]amino]benzamide
SMILESCc1cc(=O)n(CC(=O)Nc2ccc(C(N)=O)cc2)nc1C
InChIInChI=1S/C15H16N4O3/c1-9-7-14(21)19(18-10(9)2)8-13(20)17-12-5-3-11(4-6-12)15(16)22/h3-7H,8H2,1-2H3,(H2,16,22)(H,17,20)
InChIKeyWCICWVMJMPGITH-UHFFFAOYSA-N
XLogP0.60
TPSA107.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-(3,4-dimethyl-6-oxopyridazin-1-yl)acetyl]amino]benzamide?
The IUPAC name of 4-[[2-(3,4-dimethyl-6-oxopyridazin-1-yl)acetyl]amino]benzamide (CID 56920490) is 4-[[2-(3,4-dimethyl-6-oxopyridazin-1-yl)acetyl]amino]benzamide.
What is the SMILES notation for 4-[[2-(3,4-dimethyl-6-oxopyridazin-1-yl)acetyl]amino]benzamide?
The canonical SMILES for 4-[[2-(3,4-dimethyl-6-oxopyridazin-1-yl)acetyl]amino]benzamide is Cc1cc(=O)n(CC(=O)Nc2ccc(C(N)=O)cc2)nc1C.
What is the InChIKey of 4-[[2-(3,4-dimethyl-6-oxopyridazin-1-yl)acetyl]amino]benzamide?
The InChIKey is WCICWVMJMPGITH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O3/c1-9-7-14(21)19(18-10(9)2)8-13(20)17-12-5-3-11(4-6-12)15(16)22/h3-7H,8H2,1-2H3,(H2,16,22)(H,17,20).
What are the key properties of 4-[[2-(3,4-dimethyl-6-oxopyridazin-1-yl)acetyl]amino]benzamide?
4-[[2-(3,4-dimethyl-6-oxopyridazin-1-yl)acetyl]amino]benzamide has a molecular weight of 300.32 g/mol, XLogP of 0.60, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(3,4-dimethyl-6-oxopyridazin-1-yl)acetyl]amino]benzamide is sourced from PubChem (CID 56920490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).