N-(3-methylbutyl)-2-(3-oxo-6-phenyl-1,4-dihydropyridazin-2-yl)acetamide

C17H23N3O2 — CID 3295262

IUPACN-(3-methylbutyl)-2-(3-oxo-6-phenyl-1,4-dihydropyridazin-2-yl)acetamide
SMILESCC(C)CCNC(=O)CN1NC(c2ccccc2)=CCC1=O
InChIInChI=1S/C17H23N3O2/c1-13(2)10-11-18-16(21)12-20-17(22)9-8-15(19-20)14-6-4-3-5-7-14/h3-8,13,19H,9-12H2,1-2H3,(H,18,21)
InChIKeyZNBWYVYDSZPCFY-UHFFFAOYSA-N
MW301.39 g/mol
LogP1.93
Rot. Bonds6

About N-(3-methylbutyl)-2-(3-oxo-6-phenyl-1,4-dihydropyridazin-2-yl)acetamide

N-(3-methylbutyl)-2-(3-oxo-6-phenyl-1,4-dihydropyridazin-2-yl)acetamide (PubChem CID 3295262) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is N-(3-methylbutyl)-2-(3-oxo-6-phenyl-1,4-dihydropyridazin-2-yl)acetamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-2-(3-oxo-6-phenyl-1,4-dihydropyridazin-2-yl)acetamide
PubChem CID3295262
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC NameN-(3-methylbutyl)-2-(3-oxo-6-phenyl-1,4-dihydropyridazin-2-yl)acetamide
SMILESCC(C)CCNC(=O)CN1NC(c2ccccc2)=CCC1=O
InChIInChI=1S/C17H23N3O2/c1-13(2)10-11-18-16(21)12-20-17(22)9-8-15(19-20)14-6-4-3-5-7-14/h3-8,13,19H,9-12H2,1-2H3,(H,18,21)
InChIKeyZNBWYVYDSZPCFY-UHFFFAOYSA-N
XLogP1.93
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[bis(2-methylpropyl)amino]propyl]-2-(3-oxo-6-phenyl-1,4-dihydropyridazin-2-yl)acetamide
CID 3495110
N-[2-(dimethylamino)ethyl]-2-(3-oxo-6-phenyl-1,4-dihydropyridazin-2-yl)acetamide
CID 5060364
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-2-(3-oxo-6-phenyl-1,4-dihydropyridazin-2-yl)acetamide
CID 4206556
N-(2-methoxyethyl)-2-[6-(4-methylphenyl)-3-oxo-1,4-dihydropyridazin-2-yl]acetamide
CID 3636855
dimethyl-[2-[[2-[6-(4-methylphenyl)-3-oxo-1,4-dihydropyridazin-2-yl]acetyl]amino]ethyl]azanium
CID 3574498
N-[3-(4-benzylpiperidin-1-ium-1-yl)propyl]-2-(3-oxo-6-phenyl-1,4-dihydropyridazin-2-yl)acetamide
CID 3495514
2-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-6-phenyl-1,4-dihydropyridazin-3-one
CID 5002861
N-[2-(4-benzylpiperidin-1-yl)ethyl]-2-[6-(4-chlorophenyl)-3-oxo-1,4-dihydropyridazin-2-yl]acetamide
CID 4280262
2-[6-(4-methylphenyl)-3-oxo-1,4-dihydropyridazin-2-yl]-N-[3-(4-propylpiperazine-1,4-diium-1-yl)propyl]acetamide
CID 3645212
N-(furan-2-ylmethyl)-2-[6-(4-methylphenyl)-3-oxo-1,4-dihydropyridazin-2-yl]acetamide
CID 3424095
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3-oxo-6-phenyl-1,4-dihydropyridazin-2-yl)propanamide
CID 4988354
N-(3-methylbutyl)-2-(4-phenylpiperazin-1-yl)acetamide
CID 109002098

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-2-(3-oxo-6-phenyl-1,4-dihydropyridazin-2-yl)acetamide?
The IUPAC name of N-(3-methylbutyl)-2-(3-oxo-6-phenyl-1,4-dihydropyridazin-2-yl)acetamide (CID 3295262) is N-(3-methylbutyl)-2-(3-oxo-6-phenyl-1,4-dihydropyridazin-2-yl)acetamide.
What is the SMILES notation for N-(3-methylbutyl)-2-(3-oxo-6-phenyl-1,4-dihydropyridazin-2-yl)acetamide?
The canonical SMILES for N-(3-methylbutyl)-2-(3-oxo-6-phenyl-1,4-dihydropyridazin-2-yl)acetamide is CC(C)CCNC(=O)CN1NC(c2ccccc2)=CCC1=O.
What is the InChIKey of N-(3-methylbutyl)-2-(3-oxo-6-phenyl-1,4-dihydropyridazin-2-yl)acetamide?
The InChIKey is ZNBWYVYDSZPCFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-13(2)10-11-18-16(21)12-20-17(22)9-8-15(19-20)14-6-4-3-5-7-14/h3-8,13,19H,9-12H2,1-2H3,(H,18,21).
What are the key properties of N-(3-methylbutyl)-2-(3-oxo-6-phenyl-1,4-dihydropyridazin-2-yl)acetamide?
N-(3-methylbutyl)-2-(3-oxo-6-phenyl-1,4-dihydropyridazin-2-yl)acetamide has a molecular weight of 301.39 g/mol, XLogP of 1.93, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-2-(3-oxo-6-phenyl-1,4-dihydropyridazin-2-yl)acetamide is sourced from PubChem (CID 3295262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).