3,4-dimethyl-N-[3-(6-oxopyridazin-1-yl)propyl]benzamide

C16H19N3O2 — CID 30948417

IUPAC3,4-dimethyl-N-[3-(6-oxopyridazin-1-yl)propyl]benzamide
SMILESCc1ccc(C(=O)NCCCn2ncccc2=O)cc1C
InChIInChI=1S/C16H19N3O2/c1-12-6-7-14(11-13(12)2)16(21)17-8-4-10-19-15(20)5-3-9-18-19/h3,5-7,9,11H,4,8,10H2,1-2H3,(H,17,21)
InChIKeyQUYMSAHBPCVOTD-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.68
Rot. Bonds5

About 3,4-dimethyl-N-[3-(6-oxopyridazin-1-yl)propyl]benzamide

3,4-dimethyl-N-[3-(6-oxopyridazin-1-yl)propyl]benzamide (PubChem CID 30948417) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 3,4-dimethyl-N-[3-(6-oxopyridazin-1-yl)propyl]benzamide.

Molecular Properties

Compound Name3,4-dimethyl-N-[3-(6-oxopyridazin-1-yl)propyl]benzamide
PubChem CID30948417
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name3,4-dimethyl-N-[3-(6-oxopyridazin-1-yl)propyl]benzamide
SMILESCc1ccc(C(=O)NCCCn2ncccc2=O)cc1C
InChIInChI=1S/C16H19N3O2/c1-12-6-7-14(11-13(12)2)16(21)17-8-4-10-19-15(20)5-3-9-18-19/h3,5-7,9,11H,4,8,10H2,1-2H3,(H,17,21)
InChIKeyQUYMSAHBPCVOTD-UHFFFAOYSA-N
XLogP1.68
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-N-[3-(6-oxopyridazin-1-yl)propyl]benzamide?
The IUPAC name of 3,4-dimethyl-N-[3-(6-oxopyridazin-1-yl)propyl]benzamide (CID 30948417) is 3,4-dimethyl-N-[3-(6-oxopyridazin-1-yl)propyl]benzamide.
What is the SMILES notation for 3,4-dimethyl-N-[3-(6-oxopyridazin-1-yl)propyl]benzamide?
The canonical SMILES for 3,4-dimethyl-N-[3-(6-oxopyridazin-1-yl)propyl]benzamide is Cc1ccc(C(=O)NCCCn2ncccc2=O)cc1C.
What is the InChIKey of 3,4-dimethyl-N-[3-(6-oxopyridazin-1-yl)propyl]benzamide?
The InChIKey is QUYMSAHBPCVOTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-12-6-7-14(11-13(12)2)16(21)17-8-4-10-19-15(20)5-3-9-18-19/h3,5-7,9,11H,4,8,10H2,1-2H3,(H,17,21).
What are the key properties of 3,4-dimethyl-N-[3-(6-oxopyridazin-1-yl)propyl]benzamide?
3,4-dimethyl-N-[3-(6-oxopyridazin-1-yl)propyl]benzamide has a molecular weight of 285.35 g/mol, XLogP of 1.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-N-[3-(6-oxopyridazin-1-yl)propyl]benzamide is sourced from PubChem (CID 30948417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).