N-(2-amino-4-chlorophenyl)-2-(3-methoxy-6-oxopyridazin-1-yl)acetamide

C13H13ClN4O3 — CID 105061492

IUPACN-(2-amino-4-chlorophenyl)-2-(3-methoxy-6-oxopyridazin-1-yl)acetamide
SMILESCOc1ccc(=O)n(CC(=O)Nc2ccc(Cl)cc2N)n1
InChIInChI=1S/C13H13ClN4O3/c1-21-12-4-5-13(20)18(17-12)7-11(19)16-10-3-2-8(14)6-9(10)15/h2-6H,7,15H2,1H3,(H,16,19)
InChIKeyNYRIJSBTXZCSPC-UHFFFAOYSA-N
MW308.73 g/mol
LogP1.13
Rot. Bonds4

About N-(2-amino-4-chlorophenyl)-2-(3-methoxy-6-oxopyridazin-1-yl)acetamide

N-(2-amino-4-chlorophenyl)-2-(3-methoxy-6-oxopyridazin-1-yl)acetamide (PubChem CID 105061492) has the molecular formula C13H13ClN4O3 and a molecular weight of 308.73 g/mol. Its IUPAC name is N-(2-amino-4-chlorophenyl)-2-(3-methoxy-6-oxopyridazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-amino-4-chlorophenyl)-2-(3-methoxy-6-oxopyridazin-1-yl)acetamide
PubChem CID105061492
Molecular FormulaC13H13ClN4O3
Molecular Weight308.73 g/mol
Exact Mass308.07
IUPAC NameN-(2-amino-4-chlorophenyl)-2-(3-methoxy-6-oxopyridazin-1-yl)acetamide
SMILESCOc1ccc(=O)n(CC(=O)Nc2ccc(Cl)cc2N)n1
InChIInChI=1S/C13H13ClN4O3/c1-21-12-4-5-13(20)18(17-12)7-11(19)16-10-3-2-8(14)6-9(10)15/h2-6H,7,15H2,1H3,(H,16,19)
InChIKeyNYRIJSBTXZCSPC-UHFFFAOYSA-N
XLogP1.13
TPSA99.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.73
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(5-amino-2-fluorophenyl)-2-(3-methoxy-6-oxopyridazin-1-yl)acetamide
CID 105061482
N-(2-amino-4-chlorophenyl)-2-(6-oxopyridazin-1-yl)acetamide
CID 62850298
N-(4-aminophenyl)-2-(3-methoxy-6-oxopyridazin-1-yl)acetamide
CID 105061449
N-(2-aminophenyl)-3-(3-methoxy-6-oxopyridazin-1-yl)propanamide
CID 105061460
N-[(1R)-1-(4-chlorophenyl)propyl]-2-(3-methoxy-6-oxopyridazin-1-yl)acetamide
CID 99790816
N-(2-amino-4-chlorophenyl)-2-(4-methyl-6-oxopyrimidin-1-yl)acetamide
CID 61227111
N-(5-chloro-2-methoxyphenyl)-2-[3-(2-chlorophenyl)-6-oxopyridazin-1-yl]acetamide
CID 53370217
N-(5-chloro-2-methoxyphenyl)-2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide
CID 5064821
N-(5-chloro-2-methoxyphenyl)-2-[6-oxo-3-(3,4,5-trimethoxyphenyl)pyridazin-1-yl]acetamide
CID 41376713
2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-(2,4-dimethoxyphenyl)acetamide
CID 7659824
2-(3-methoxy-6-oxopyridazin-1-yl)-N-(3,4,5-trimethylthiophen-2-yl)acetamide
CID 99841724
N-(2,4-dichlorophenyl)-2-[3-(4-fluoro-2-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide
CID 51054773

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-chlorophenyl)-2-(3-methoxy-6-oxopyridazin-1-yl)acetamide?
The IUPAC name of N-(2-amino-4-chlorophenyl)-2-(3-methoxy-6-oxopyridazin-1-yl)acetamide (CID 105061492) is N-(2-amino-4-chlorophenyl)-2-(3-methoxy-6-oxopyridazin-1-yl)acetamide.
What is the SMILES notation for N-(2-amino-4-chlorophenyl)-2-(3-methoxy-6-oxopyridazin-1-yl)acetamide?
The canonical SMILES for N-(2-amino-4-chlorophenyl)-2-(3-methoxy-6-oxopyridazin-1-yl)acetamide is COc1ccc(=O)n(CC(=O)Nc2ccc(Cl)cc2N)n1.
What is the InChIKey of N-(2-amino-4-chlorophenyl)-2-(3-methoxy-6-oxopyridazin-1-yl)acetamide?
The InChIKey is NYRIJSBTXZCSPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN4O3/c1-21-12-4-5-13(20)18(17-12)7-11(19)16-10-3-2-8(14)6-9(10)15/h2-6H,7,15H2,1H3,(H,16,19).
What are the key properties of N-(2-amino-4-chlorophenyl)-2-(3-methoxy-6-oxopyridazin-1-yl)acetamide?
N-(2-amino-4-chlorophenyl)-2-(3-methoxy-6-oxopyridazin-1-yl)acetamide has a molecular weight of 308.73 g/mol, XLogP of 1.13, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-chlorophenyl)-2-(3-methoxy-6-oxopyridazin-1-yl)acetamide is sourced from PubChem (CID 105061492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).