N-(1,3-benzodioxol-5-ylcarbamoyl)-2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)acetamide

C17H15N5O5 — CID 9380353

IUPACN-(1,3-benzodioxol-5-ylcarbamoyl)-2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)acetamide
SMILESCc1nn(CC(=O)NC(=O)Nc2ccc3c(c2)OCO3)c(=O)c(C#N)c1C
InChIInChI=1S/C17H15N5O5/c1-9-10(2)21-22(16(24)12(9)6-18)7-15(23)20-17(25)19-11-3-4-13-14(5-11)27-8-26-13/h3-5H,7-8H2,1-2H3,(H2,19,20,23,25)
InChIKeyMHKADLROEVTTSN-UHFFFAOYSA-N
MW369.34 g/mol
LogP0.81
Rot. Bonds3

About N-(1,3-benzodioxol-5-ylcarbamoyl)-2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)acetamide

N-(1,3-benzodioxol-5-ylcarbamoyl)-2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)acetamide (PubChem CID 9380353) has the molecular formula C17H15N5O5 and a molecular weight of 369.34 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylcarbamoyl)-2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylcarbamoyl)-2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)acetamide
PubChem CID9380353
Molecular FormulaC17H15N5O5
Molecular Weight369.34 g/mol
Exact Mass369.11
IUPAC NameN-(1,3-benzodioxol-5-ylcarbamoyl)-2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)acetamide
SMILESCc1nn(CC(=O)NC(=O)Nc2ccc3c(c2)OCO3)c(=O)c(C#N)c1C
InChIInChI=1S/C17H15N5O5/c1-9-10(2)21-22(16(24)12(9)6-18)7-15(23)20-17(25)19-11-3-4-13-14(5-11)27-8-26-13/h3-5H,7-8H2,1-2H3,(H2,19,20,23,25)
InChIKeyMHKADLROEVTTSN-UHFFFAOYSA-N
XLogP0.81
TPSA135.34 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.34
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-[(2S)-3-(1,3-benzodioxol-5-yloxy)-2-hydroxypropyl]-5,6-dimethyl-3-oxopyridazine-4-carbonitrile
CID 95584344
2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
CID 24630123
2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)-N-(2,5-dichlorophenyl)acetamide
CID 8537439
N-(1,3-benzodioxol-5-ylcarbamoyl)-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide
CID 9477764
N-(1,3-benzodioxol-5-ylcarbamoyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide
CID 9248269
2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)-N-(2-methylsulfonylphenyl)acetamide
CID 9309209
1-(1,3-benzodioxol-5-yl)-3-(4-cyanophenyl)urea
CID 46860052
N-(1,3-benzodioxol-5-yl)-2-(3-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 53086674
2-[5-acetamido-3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-(1,3-benzodioxol-5-yl)acetamide
CID 50812887
N-(1,3-benzodioxol-5-ylcarbamoyl)-2-[5-(4-ethylphenyl)tetrazol-2-yl]acetamide
CID 9381448
2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)-N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]acetamide
CID 38979073
N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide
CID 16534981

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylcarbamoyl)-2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)acetamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylcarbamoyl)-2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)acetamide (CID 9380353) is N-(1,3-benzodioxol-5-ylcarbamoyl)-2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)acetamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylcarbamoyl)-2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)acetamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylcarbamoyl)-2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)acetamide is Cc1nn(CC(=O)NC(=O)Nc2ccc3c(c2)OCO3)c(=O)c(C#N)c1C.
What is the InChIKey of N-(1,3-benzodioxol-5-ylcarbamoyl)-2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)acetamide?
The InChIKey is MHKADLROEVTTSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O5/c1-9-10(2)21-22(16(24)12(9)6-18)7-15(23)20-17(25)19-11-3-4-13-14(5-11)27-8-26-13/h3-5H,7-8H2,1-2H3,(H2,19,20,23,25).
What are the key properties of N-(1,3-benzodioxol-5-ylcarbamoyl)-2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)acetamide?
N-(1,3-benzodioxol-5-ylcarbamoyl)-2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)acetamide has a molecular weight of 369.34 g/mol, XLogP of 0.81, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylcarbamoyl)-2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)acetamide is sourced from PubChem (CID 9380353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).