N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]-2-pyridin-3-yloxyacetamide

C18H18N4O3 — CID 21249165

IUPACN-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]-2-pyridin-3-yloxyacetamide
SMILESCC1CC(=O)NN=C1c1ccc(NC(=O)COc2cccnc2)cc1
InChIInChI=1S/C18H18N4O3/c1-12-9-16(23)21-22-18(12)13-4-6-14(7-5-13)20-17(24)11-25-15-3-2-8-19-10-15/h2-8,10,12H,9,11H2,1H3,(H,20,24)(H,21,23)
InChIKeyJINUWRTZWUFIAV-UHFFFAOYSA-N
MW338.37 g/mol
LogP1.96
Rot. Bonds5

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

N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]-2-pyridin-3-yloxyacetamide (PubChem CID 21249165) has the molecular formula C18H18N4O3 and a molecular weight of 338.37 g/mol. Its IUPAC name is N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]-2-pyridin-3-yloxyacetamide.

Molecular Properties

Compound NameN-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]-2-pyridin-3-yloxyacetamide
PubChem CID21249165
Molecular FormulaC18H18N4O3
Molecular Weight338.37 g/mol
Exact Mass338.14
IUPAC NameN-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]-2-pyridin-3-yloxyacetamide
SMILESCC1CC(=O)NN=C1c1ccc(NC(=O)COc2cccnc2)cc1
InChIInChI=1S/C18H18N4O3/c1-12-9-16(23)21-22-18(12)13-4-6-14(7-5-13)20-17(24)11-25-15-3-2-8-19-10-15/h2-8,10,12H,9,11H2,1H3,(H,20,24)(H,21,23)
InChIKeyJINUWRTZWUFIAV-UHFFFAOYSA-N
XLogP1.96
TPSA92.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]-2-pyridin-3-yloxyacetamide?
The IUPAC name of N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]-2-pyridin-3-yloxyacetamide (CID 21249165) is N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]-2-pyridin-3-yloxyacetamide.
What is the SMILES notation for N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]-2-pyridin-3-yloxyacetamide?
The canonical SMILES for N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]-2-pyridin-3-yloxyacetamide is CC1CC(=O)NN=C1c1ccc(NC(=O)COc2cccnc2)cc1.
What is the InChIKey of N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]-2-pyridin-3-yloxyacetamide?
The InChIKey is JINUWRTZWUFIAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3/c1-12-9-16(23)21-22-18(12)13-4-6-14(7-5-13)20-17(24)11-25-15-3-2-8-19-10-15/h2-8,10,12H,9,11H2,1H3,(H,20,24)(H,21,23).
What are the key properties of N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]-2-pyridin-3-yloxyacetamide?
N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]-2-pyridin-3-yloxyacetamide has a molecular weight of 338.37 g/mol, XLogP of 1.96, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]-2-pyridin-3-yloxyacetamide is sourced from PubChem (CID 21249165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).