N-[2-(dimethylamino)ethyl]-2-(3-oxo-6-phenyl-1,4-dihydropyridazin-2-yl)acetamide

C16H22N4O2 — CID 5060364

IUPACN-[2-(dimethylamino)ethyl]-2-(3-oxo-6-phenyl-1,4-dihydropyridazin-2-yl)acetamide
SMILESCN(C)CCNC(=O)CN1NC(c2ccccc2)=CCC1=O
InChIInChI=1S/C16H22N4O2/c1-19(2)11-10-17-15(21)12-20-16(22)9-8-14(18-20)13-6-4-3-5-7-13/h3-8,18H,9-12H2,1-2H3,(H,17,21)
InChIKeyMDOGABOKFVGGOY-UHFFFAOYSA-N
MW302.38 g/mol
LogP0.44
Rot. Bonds6

About N-[2-(dimethylamino)ethyl]-2-(3-oxo-6-phenyl-1,4-dihydropyridazin-2-yl)acetamide

N-[2-(dimethylamino)ethyl]-2-(3-oxo-6-phenyl-1,4-dihydropyridazin-2-yl)acetamide (PubChem CID 5060364) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-2-(3-oxo-6-phenyl-1,4-dihydropyridazin-2-yl)acetamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-2-(3-oxo-6-phenyl-1,4-dihydropyridazin-2-yl)acetamide
PubChem CID5060364
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC NameN-[2-(dimethylamino)ethyl]-2-(3-oxo-6-phenyl-1,4-dihydropyridazin-2-yl)acetamide
SMILESCN(C)CCNC(=O)CN1NC(c2ccccc2)=CCC1=O
InChIInChI=1S/C16H22N4O2/c1-19(2)11-10-17-15(21)12-20-16(22)9-8-14(18-20)13-6-4-3-5-7-13/h3-8,18H,9-12H2,1-2H3,(H,17,21)
InChIKeyMDOGABOKFVGGOY-UHFFFAOYSA-N
XLogP0.44
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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-(3-methylbutyl)-2-(3-oxo-6-phenyl-1,4-dihydropyridazin-2-yl)acetamide
CID 3295262
2-[6-(4-methoxyphenyl)-3-oxo-1,4-dihydropyridazin-2-yl]-N-[3-(N-methylanilino)propyl]acetamide
CID 3303097
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
N-[2-(4-benzylpiperidin-1-yl)ethyl]-2-[6-(4-chlorophenyl)-3-oxo-1,4-dihydropyridazin-2-yl]acetamide
CID 4280262
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3-oxo-6-phenyl-1,4-dihydropyridazin-2-yl)propanamide
CID 4988354
2-[6-(4-chlorophenyl)-3-oxo-1,4-dihydropyridazin-2-yl]-N-[3-(diethylamino)-2-methylpropyl]acetamide
CID 4280505
2-[3-(azepan-1-yl)-3-oxopropyl]-6-phenyl-1,4-dihydropyridazin-3-one
CID 4307568
N-[2-(dimethylamino)ethyl]-2-(N-methylanilino)acetamide
CID 108994641

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-2-(3-oxo-6-phenyl-1,4-dihydropyridazin-2-yl)acetamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-2-(3-oxo-6-phenyl-1,4-dihydropyridazin-2-yl)acetamide (CID 5060364) is N-[2-(dimethylamino)ethyl]-2-(3-oxo-6-phenyl-1,4-dihydropyridazin-2-yl)acetamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-2-(3-oxo-6-phenyl-1,4-dihydropyridazin-2-yl)acetamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-2-(3-oxo-6-phenyl-1,4-dihydropyridazin-2-yl)acetamide is CN(C)CCNC(=O)CN1NC(c2ccccc2)=CCC1=O.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-2-(3-oxo-6-phenyl-1,4-dihydropyridazin-2-yl)acetamide?
The InChIKey is MDOGABOKFVGGOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-19(2)11-10-17-15(21)12-20-16(22)9-8-14(18-20)13-6-4-3-5-7-13/h3-8,18H,9-12H2,1-2H3,(H,17,21).
What are the key properties of N-[2-(dimethylamino)ethyl]-2-(3-oxo-6-phenyl-1,4-dihydropyridazin-2-yl)acetamide?
N-[2-(dimethylamino)ethyl]-2-(3-oxo-6-phenyl-1,4-dihydropyridazin-2-yl)acetamide has a molecular weight of 302.38 g/mol, XLogP of 0.44, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-2-(3-oxo-6-phenyl-1,4-dihydropyridazin-2-yl)acetamide is sourced from PubChem (CID 5060364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).