N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)acetamide

C15H14N6O3 — CID 121052827

IUPACN-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)acetamide
SMILESCc1noc(CNC(=O)Cn2nc(-c3ccncc3)ccc2=O)n1
InChIInChI=1S/C15H14N6O3/c1-10-18-14(24-20-10)8-17-13(22)9-21-15(23)3-2-12(19-21)11-4-6-16-7-5-11/h2-7H,8-9H2,1H3,(H,17,22)
InChIKeyNQYISWYKLDCXHK-UHFFFAOYSA-N
MW326.32 g/mol
LogP0.31
Rot. Bonds5

About N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)acetamide

N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)acetamide (PubChem CID 121052827) has the molecular formula C15H14N6O3 and a molecular weight of 326.32 g/mol. Its IUPAC name is N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)acetamide
PubChem CID121052827
Molecular FormulaC15H14N6O3
Molecular Weight326.32 g/mol
Exact Mass326.11
IUPAC NameN-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)acetamide
SMILESCc1noc(CNC(=O)Cn2nc(-c3ccncc3)ccc2=O)n1
InChIInChI=1S/C15H14N6O3/c1-10-18-14(24-20-10)8-17-13(22)9-21-15(23)3-2-12(19-21)11-4-6-16-7-5-11/h2-7H,8-9H2,1H3,(H,17,22)
InChIKeyNQYISWYKLDCXHK-UHFFFAOYSA-N
XLogP0.31
TPSA115.80 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.32
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[(2,6-difluorophenyl)methyl]-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)acetamide
CID 121052772
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 47865933
N-(3,5-dimethylphenyl)-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)acetamide
CID 121052648
N-(3,3-diphenylpropyl)-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)acetamide
CID 121052709
2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]acetamide
CID 121050677
N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)acetamide
CID 122278125
2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 7659873
N-(2-ethylphenyl)-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)acetamide
CID 121052659
N-(4-fluorophenyl)-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)acetamide
CID 121052752
N-(4-methylsulfanylphenyl)-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)acetamide
CID 121052732
N-[(4-ethylphenyl)methyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 5053346
N-(3,5-dichlorophenyl)-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)acetamide
CID 121052684

Frequently Asked Questions

What is the IUPAC name of N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)acetamide?
The IUPAC name of N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)acetamide (CID 121052827) is N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)acetamide.
What is the SMILES notation for N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)acetamide?
The canonical SMILES for N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)acetamide is Cc1noc(CNC(=O)Cn2nc(-c3ccncc3)ccc2=O)n1.
What is the InChIKey of N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)acetamide?
The InChIKey is NQYISWYKLDCXHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N6O3/c1-10-18-14(24-20-10)8-17-13(22)9-21-15(23)3-2-12(19-21)11-4-6-16-7-5-11/h2-7H,8-9H2,1H3,(H,17,22).
What are the key properties of N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)acetamide?
N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)acetamide has a molecular weight of 326.32 g/mol, XLogP of 0.31, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)acetamide is sourced from PubChem (CID 121052827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).