N-[2-methyl-1-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)propyl]benzamide

C15H19N3O2 — CID 14971536

IUPACN-[2-methyl-1-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)propyl]benzamide
SMILESCC(C)C(NC(=O)c1ccccc1)C1=NNC(=O)CC1
InChIInChI=1S/C15H19N3O2/c1-10(2)14(12-8-9-13(19)18-17-12)16-15(20)11-6-4-3-5-7-11/h3-7,10,14H,8-9H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyWSWXLJOGYKNVPZ-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.71
Rot. Bonds4

About N-[2-methyl-1-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)propyl]benzamide

N-[2-methyl-1-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)propyl]benzamide (PubChem CID 14971536) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is N-[2-methyl-1-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)propyl]benzamide.

Molecular Properties

Compound NameN-[2-methyl-1-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)propyl]benzamide
PubChem CID14971536
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC NameN-[2-methyl-1-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)propyl]benzamide
SMILESCC(C)C(NC(=O)c1ccccc1)C1=NNC(=O)CC1
InChIInChI=1S/C15H19N3O2/c1-10(2)14(12-8-9-13(19)18-17-12)16-15(20)11-6-4-3-5-7-11/h3-7,10,14H,8-9H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyWSWXLJOGYKNVPZ-UHFFFAOYSA-N
XLogP1.71
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 68891597

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-1-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)propyl]benzamide?
The IUPAC name of N-[2-methyl-1-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)propyl]benzamide (CID 14971536) is N-[2-methyl-1-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)propyl]benzamide.
What is the SMILES notation for N-[2-methyl-1-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)propyl]benzamide?
The canonical SMILES for N-[2-methyl-1-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)propyl]benzamide is CC(C)C(NC(=O)c1ccccc1)C1=NNC(=O)CC1.
What is the InChIKey of N-[2-methyl-1-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)propyl]benzamide?
The InChIKey is WSWXLJOGYKNVPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-10(2)14(12-8-9-13(19)18-17-12)16-15(20)11-6-4-3-5-7-11/h3-7,10,14H,8-9H2,1-2H3,(H,16,20)(H,18,19).
What are the key properties of N-[2-methyl-1-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)propyl]benzamide?
N-[2-methyl-1-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)propyl]benzamide has a molecular weight of 273.34 g/mol, XLogP of 1.71, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-1-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)propyl]benzamide is sourced from PubChem (CID 14971536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).