2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-(3,4-dimethylphenyl)acetamide

C17H19N3O2 — CID 122278422

IUPAC2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-(3,4-dimethylphenyl)acetamide
SMILESCc1ccc(NC(=O)Cn2nc(C3CC3)ccc2=O)cc1C
InChIInChI=1S/C17H19N3O2/c1-11-3-6-14(9-12(11)2)18-16(21)10-20-17(22)8-7-15(19-20)13-4-5-13/h3,6-9,13H,4-5,10H2,1-2H3,(H,18,21)
InChIKeyFBQKXHTZMJAGHY-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.38
Rot. Bonds4

About 2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-(3,4-dimethylphenyl)acetamide

2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-(3,4-dimethylphenyl)acetamide (PubChem CID 122278422) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is 2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-(3,4-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-(3,4-dimethylphenyl)acetamide
PubChem CID122278422
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Name2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-(3,4-dimethylphenyl)acetamide
SMILESCc1ccc(NC(=O)Cn2nc(C3CC3)ccc2=O)cc1C
InChIInChI=1S/C17H19N3O2/c1-11-3-6-14(9-12(11)2)18-16(21)10-20-17(22)8-7-15(19-20)13-4-5-13/h3,6-9,13H,4-5,10H2,1-2H3,(H,18,21)
InChIKeyFBQKXHTZMJAGHY-UHFFFAOYSA-N
XLogP2.38
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-(4-methylphenyl)acetamide
CID 122278467
2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-(4-methoxyphenyl)acetamide
CID 122278381
2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 122278568
2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-(3-fluorophenyl)acetamide
CID 122278424
2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 122278445
2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-propylacetamide
CID 122278444
N-(3-fluoro-4-methylphenyl)-2-[6-oxo-3-(2,4,5-trimethylphenyl)pyridazin-1-yl]acetamide
CID 7672344
2-[5-acetamido-3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-(3,4-dimethylphenyl)acetamide
CID 50812977
N-(3,4-dimethylphenyl)-1-[2-(3-methoxyanilino)-2-oxoethyl]-6-oxopyridazine-3-carboxamide
CID 41248044
N-(4-bromo-3-methylphenyl)-2-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]acetamide
CID 121051100
2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-[2-methoxy-5-(trifluoromethyl)phenyl]acetamide
CID 122278501
1-[2-(2,4-dimethoxyanilino)-2-oxoethyl]-N-(3,4-dimethylphenyl)-6-oxopyridazine-3-carboxamide
CID 41248050

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-(3,4-dimethylphenyl)acetamide?
The IUPAC name of 2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-(3,4-dimethylphenyl)acetamide (CID 122278422) is 2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-(3,4-dimethylphenyl)acetamide.
What is the SMILES notation for 2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-(3,4-dimethylphenyl)acetamide?
The canonical SMILES for 2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-(3,4-dimethylphenyl)acetamide is Cc1ccc(NC(=O)Cn2nc(C3CC3)ccc2=O)cc1C.
What is the InChIKey of 2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-(3,4-dimethylphenyl)acetamide?
The InChIKey is FBQKXHTZMJAGHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-11-3-6-14(9-12(11)2)18-16(21)10-20-17(22)8-7-15(19-20)13-4-5-13/h3,6-9,13H,4-5,10H2,1-2H3,(H,18,21).
What are the key properties of 2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-(3,4-dimethylphenyl)acetamide?
2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-(3,4-dimethylphenyl)acetamide has a molecular weight of 297.36 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-(3,4-dimethylphenyl)acetamide is sourced from PubChem (CID 122278422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).