N-(2-cyano-4-nitrophenyl)-2-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide

C20H15N5O5 — CID 121050749

IUPACN-(2-cyano-4-nitrophenyl)-2-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide
SMILESCOc1ccccc1-c1ccc(=O)n(CC(=O)Nc2ccc([N+](=O)[O-])cc2C#N)n1
InChIInChI=1S/C20H15N5O5/c1-30-18-5-3-2-4-15(18)17-8-9-20(27)24(23-17)12-19(26)22-16-7-6-14(25(28)29)10-13(16)11-21/h2-10H,12H2,1H3,(H,22,26)
InChIKeyRTUPRRWNWLWJEI-UHFFFAOYSA-N
MW405.37 g/mol
LogP2.34
Rot. Bonds6

About N-(2-cyano-4-nitrophenyl)-2-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide

N-(2-cyano-4-nitrophenyl)-2-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide (PubChem CID 121050749) has the molecular formula C20H15N5O5 and a molecular weight of 405.37 g/mol. Its IUPAC name is N-(2-cyano-4-nitrophenyl)-2-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-cyano-4-nitrophenyl)-2-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide
PubChem CID121050749
Molecular FormulaC20H15N5O5
Molecular Weight405.37 g/mol
Exact Mass405.11
IUPAC NameN-(2-cyano-4-nitrophenyl)-2-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide
SMILESCOc1ccccc1-c1ccc(=O)n(CC(=O)Nc2ccc([N+](=O)[O-])cc2C#N)n1
InChIInChI=1S/C20H15N5O5/c1-30-18-5-3-2-4-15(18)17-8-9-20(27)24(23-17)12-19(26)22-16-7-6-14(25(28)29)10-13(16)11-21/h2-10H,12H2,1H3,(H,22,26)
InChIKeyRTUPRRWNWLWJEI-UHFFFAOYSA-N
XLogP2.34
TPSA140.15 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.37
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-cyano-4-nitrophenyl)-2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]acetamide
CID 121050453
N-(3-chloro-2-methylphenyl)-2-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide
CID 7662903
2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-(2-methoxy-5-nitrophenyl)acetamide
CID 121051622
N-(3,5-dimethylphenyl)-2-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide
CID 7662639
2-[3-(4-ethylphenyl)-6-oxopyridazin-1-yl]-N-(2-methoxy-5-nitrophenyl)acetamide
CID 121050893
N-(3-methoxyphenyl)-2-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide
CID 7662660
2-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(4-methylphenyl)acetamide
CID 7662633
N-(3,4-dichlorophenyl)-2-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide
CID 7662891
2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]-N-(2-methoxy-5-nitrophenyl)acetamide
CID 121050441
N-(4-chlorophenyl)-2-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide
CID 7662883
2-[3-(2,5-dimethylphenyl)-6-oxopyridazin-1-yl]-N-(2-methyl-5-nitrophenyl)acetamide
CID 121051950
N-(5-chloro-2-methoxyphenyl)-2-[3-(2-chlorophenyl)-6-oxopyridazin-1-yl]acetamide
CID 53370217

Frequently Asked Questions

What is the IUPAC name of N-(2-cyano-4-nitrophenyl)-2-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide?
The IUPAC name of N-(2-cyano-4-nitrophenyl)-2-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide (CID 121050749) is N-(2-cyano-4-nitrophenyl)-2-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide.
What is the SMILES notation for N-(2-cyano-4-nitrophenyl)-2-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide?
The canonical SMILES for N-(2-cyano-4-nitrophenyl)-2-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide is COc1ccccc1-c1ccc(=O)n(CC(=O)Nc2ccc([N+](=O)[O-])cc2C#N)n1.
What is the InChIKey of N-(2-cyano-4-nitrophenyl)-2-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide?
The InChIKey is RTUPRRWNWLWJEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N5O5/c1-30-18-5-3-2-4-15(18)17-8-9-20(27)24(23-17)12-19(26)22-16-7-6-14(25(28)29)10-13(16)11-21/h2-10H,12H2,1H3,(H,22,26).
What are the key properties of N-(2-cyano-4-nitrophenyl)-2-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide?
N-(2-cyano-4-nitrophenyl)-2-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide has a molecular weight of 405.37 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyano-4-nitrophenyl)-2-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide is sourced from PubChem (CID 121050749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).