N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(dimethylamino)-6-oxopyridazin-1-yl]acetamide

C16H18N4O4 — CID 28634716

IUPACN-(1,3-benzodioxol-5-ylmethyl)-2-[4-(dimethylamino)-6-oxopyridazin-1-yl]acetamide
SMILESCN(C)c1cnn(CC(=O)NCc2ccc3c(c2)OCO3)c(=O)c1
InChIInChI=1S/C16H18N4O4/c1-19(2)12-6-16(22)20(18-8-12)9-15(21)17-7-11-3-4-13-14(5-11)24-10-23-13/h3-6,8H,7,9-10H2,1-2H3,(H,17,21)
InChIKeyVDUVSVVIRYTSAV-UHFFFAOYSA-N
MW330.34 g/mol
LogP0.35
Rot. Bonds5

About N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(dimethylamino)-6-oxopyridazin-1-yl]acetamide

N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(dimethylamino)-6-oxopyridazin-1-yl]acetamide (PubChem CID 28634716) has the molecular formula C16H18N4O4 and a molecular weight of 330.34 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(dimethylamino)-6-oxopyridazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-2-[4-(dimethylamino)-6-oxopyridazin-1-yl]acetamide
PubChem CID28634716
Molecular FormulaC16H18N4O4
Molecular Weight330.34 g/mol
Exact Mass330.13
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-2-[4-(dimethylamino)-6-oxopyridazin-1-yl]acetamide
SMILESCN(C)c1cnn(CC(=O)NCc2ccc3c(c2)OCO3)c(=O)c1
InChIInChI=1S/C16H18N4O4/c1-19(2)12-6-16(22)20(18-8-12)9-15(21)17-7-11-3-4-13-14(5-11)24-10-23-13/h3-6,8H,7,9-10H2,1-2H3,(H,17,21)
InChIKeyVDUVSVVIRYTSAV-UHFFFAOYSA-N
XLogP0.35
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-N-(2-oxo-2-piperidin-1-ylethyl)amine
CID 10084828
N-(1,3-benzodioxol-5-ylmethyl)-2-[3-(2-fluorophenyl)-6-oxopyridazin-1-yl]acetamide
CID 649977
2-(N'-Benzo[1,3]dioxol-5-ylmethylene-hydrazino)-2-oxo-N-phenethyl-acetamide
CID 9591523
N-(2H-benzo[3,4-d]1,3-dioxolan-5-ylmethyl)[5-(3,4-dimethoxyphenyl)-2-methyl-1, 1-dioxo(1,2,6-thiadiazin-3-yl)]carboxamide
CID 17253755
2-[N-(4-aminobutyl)-2-[N-(4-aminobutyl)-2-{2-[N-(4-aminobutyl)-2-(2-{2-[N-(4-aminobutyl)-2-{2-[(4-aminobutyl)amino]-N-(2-methylpropyl)acetamido}acetamido]-N-(1-phenylethyl)acetamido}-N-(2H-1,3-benzodioxol-5-ylmethyl)acetamido)acetamido]-N-(2-methylpropyl)acetamido}acetamido]acetamido]acetamide
CID 44585870
Propenamide, 2-acetylamino-3-(3,4-methylenedioxyphenyl)-N-benzyl-
CID 1603017
N-Allyl-2-(4-benzo[1,3]dioxol-5-ylmethyl-piperazin-1-yl)-acetamide
CID 24746817
N-Benzo[1,3]dioxol-5-ylmethyl-2-[3-(2-methoxy-phenyl)-6-oxo-6H-pyridazin-1-yl]-acetamide
CID 645271
N-(1,3-benzodioxol-5-ylmethyl)-N'-cyclohexyloxamide
CID 2174513
N-(1,3-benzodioxol-5-ylmethyl)-2-(2-methylpiperidin-1-yl)acetamide
CID 2999501
N-(1,3-benzodioxol-5-ylmethyl)-2-(6-oxo-3-phenylpyridazin-1(6H)-yl)acetamide
CID 3242615
2-(acetylamino)-N-(1,3-benzodioxol-5-ylmethyl)-3-phenylacrylamide
CID 5736252

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(dimethylamino)-6-oxopyridazin-1-yl]acetamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(dimethylamino)-6-oxopyridazin-1-yl]acetamide (CID 28634716) is N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(dimethylamino)-6-oxopyridazin-1-yl]acetamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(dimethylamino)-6-oxopyridazin-1-yl]acetamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(dimethylamino)-6-oxopyridazin-1-yl]acetamide is CN(C)c1cnn(CC(=O)NCc2ccc3c(c2)OCO3)c(=O)c1.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(dimethylamino)-6-oxopyridazin-1-yl]acetamide?
The InChIKey is VDUVSVVIRYTSAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O4/c1-19(2)12-6-16(22)20(18-8-12)9-15(21)17-7-11-3-4-13-14(5-11)24-10-23-13/h3-6,8H,7,9-10H2,1-2H3,(H,17,21).
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(dimethylamino)-6-oxopyridazin-1-yl]acetamide?
N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(dimethylamino)-6-oxopyridazin-1-yl]acetamide has a molecular weight of 330.34 g/mol, XLogP of 0.35, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(dimethylamino)-6-oxopyridazin-1-yl]acetamide is sourced from PubChem (CID 28634716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).