N-(3,5-dimethylphenyl)-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)acetamide

C19H18N4O2 — CID 121052648

IUPACN-(3,5-dimethylphenyl)-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)acetamide
SMILESCc1cc(C)cc(NC(=O)Cn2nc(-c3ccncc3)ccc2=O)c1
InChIInChI=1S/C19H18N4O2/c1-13-9-14(2)11-16(10-13)21-18(24)12-23-19(25)4-3-17(22-23)15-5-7-20-8-6-15/h3-11H,12H2,1-2H3,(H,21,24)
InChIKeyIMNQPXFFRUKAIL-UHFFFAOYSA-N
MW334.38 g/mol
LogP2.56
Rot. Bonds4

About N-(3,5-dimethylphenyl)-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)acetamide

N-(3,5-dimethylphenyl)-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)acetamide (PubChem CID 121052648) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)acetamide
PubChem CID121052648
Molecular FormulaC19H18N4O2
Molecular Weight334.38 g/mol
Exact Mass334.14
IUPAC NameN-(3,5-dimethylphenyl)-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)acetamide
SMILESCc1cc(C)cc(NC(=O)Cn2nc(-c3ccncc3)ccc2=O)c1
InChIInChI=1S/C19H18N4O2/c1-13-9-14(2)11-16(10-13)21-18(24)12-23-19(25)4-3-17(22-23)15-5-7-20-8-6-15/h3-11H,12H2,1-2H3,(H,21,24)
InChIKeyIMNQPXFFRUKAIL-UHFFFAOYSA-N
XLogP2.56
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,5-dichlorophenyl)-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)acetamide
CID 121052684
N-(3,5-dimethoxyphenyl)-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)acetamide
CID 121052686
N-(3-methylphenyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide
CID 7662380
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-nitrophenyl)-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)acetamide
CID 121052626
N-(2-ethylphenyl)-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)acetamide
CID 121052659
N-(4-bromo-3-methylphenyl)-2-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]acetamide
CID 121051100
N-(3-chloro-4-fluorophenyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide
CID 23609017
N-(3,5-dimethylphenyl)-2-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide
CID 7662639
N-(4-bromo-3-methylphenyl)-2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]acetamide
CID 121051666
N-[2-[2-(3,5-dimethylanilino)-2-oxoethyl]-6-(4-methylphenyl)-3-oxopyridazin-4-yl]propanamide
CID 50813022

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)acetamide?
The IUPAC name of N-(3,5-dimethylphenyl)-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)acetamide (CID 121052648) is N-(3,5-dimethylphenyl)-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)acetamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)acetamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)acetamide is Cc1cc(C)cc(NC(=O)Cn2nc(-c3ccncc3)ccc2=O)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)acetamide?
The InChIKey is IMNQPXFFRUKAIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2/c1-13-9-14(2)11-16(10-13)21-18(24)12-23-19(25)4-3-17(22-23)15-5-7-20-8-6-15/h3-11H,12H2,1-2H3,(H,21,24).
What are the key properties of N-(3,5-dimethylphenyl)-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)acetamide?
N-(3,5-dimethylphenyl)-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)acetamide has a molecular weight of 334.38 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)acetamide is sourced from PubChem (CID 121052648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).