N-(2-aminophenyl)-4-(6-methoxypyridazin-3-yl)benzamide

C18H16N4O2 — CID 10172348

IUPACN-(2-aminophenyl)-4-(6-methoxypyridazin-3-yl)benzamide
SMILESCOc1ccc(-c2ccc(C(=O)Nc3ccccc3N)cc2)nn1
InChIInChI=1S/C18H16N4O2/c1-24-17-11-10-15(21-22-17)12-6-8-13(9-7-12)18(23)20-16-5-3-2-4-14(16)19/h2-11H,19H2,1H3,(H,20,23)
InChIKeyFPOSYFZETMLCGU-UHFFFAOYSA-N
MW320.35 g/mol
LogP2.99
Rot. Bonds4

About N-(2-aminophenyl)-4-(6-methoxypyridazin-3-yl)benzamide

N-(2-aminophenyl)-4-(6-methoxypyridazin-3-yl)benzamide (PubChem CID 10172348) has the molecular formula C18H16N4O2 and a molecular weight of 320.35 g/mol. Its IUPAC name is N-(2-aminophenyl)-4-(6-methoxypyridazin-3-yl)benzamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-4-(6-methoxypyridazin-3-yl)benzamide
PubChem CID10172348
Molecular FormulaC18H16N4O2
Molecular Weight320.35 g/mol
Exact Mass320.13
IUPAC NameN-(2-aminophenyl)-4-(6-methoxypyridazin-3-yl)benzamide
SMILESCOc1ccc(-c2ccc(C(=O)Nc3ccccc3N)cc2)nn1
InChIInChI=1S/C18H16N4O2/c1-24-17-11-10-15(21-22-17)12-6-8-13(9-7-12)18(23)20-16-5-3-2-4-14(16)19/h2-11H,19H2,1H3,(H,20,23)
InChIKeyFPOSYFZETMLCGU-UHFFFAOYSA-N
XLogP2.99
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-4-(6-methoxypyridazin-3-yl)benzamide?
The IUPAC name of N-(2-aminophenyl)-4-(6-methoxypyridazin-3-yl)benzamide (CID 10172348) is N-(2-aminophenyl)-4-(6-methoxypyridazin-3-yl)benzamide.
What is the SMILES notation for N-(2-aminophenyl)-4-(6-methoxypyridazin-3-yl)benzamide?
The canonical SMILES for N-(2-aminophenyl)-4-(6-methoxypyridazin-3-yl)benzamide is COc1ccc(-c2ccc(C(=O)Nc3ccccc3N)cc2)nn1.
What is the InChIKey of N-(2-aminophenyl)-4-(6-methoxypyridazin-3-yl)benzamide?
The InChIKey is FPOSYFZETMLCGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O2/c1-24-17-11-10-15(21-22-17)12-6-8-13(9-7-12)18(23)20-16-5-3-2-4-14(16)19/h2-11H,19H2,1H3,(H,20,23).
What are the key properties of N-(2-aminophenyl)-4-(6-methoxypyridazin-3-yl)benzamide?
N-(2-aminophenyl)-4-(6-methoxypyridazin-3-yl)benzamide has a molecular weight of 320.35 g/mol, XLogP of 2.99, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-4-(6-methoxypyridazin-3-yl)benzamide is sourced from PubChem (CID 10172348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).