N-(6-anilinopyridazin-3-yl)-4-methoxybenzamide

C18H16N4O2 — CID 113045480

IUPACN-(6-anilinopyridazin-3-yl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(Nc3ccccc3)nn2)cc1
InChIInChI=1S/C18H16N4O2/c1-24-15-9-7-13(8-10-15)18(23)20-17-12-11-16(21-22-17)19-14-5-3-2-4-6-14/h2-12H,1H3,(H,19,21)(H,20,22,23)
InChIKeyJPZFOMXRSOOHIS-UHFFFAOYSA-N
MW320.35 g/mol
LogP3.48
Rot. Bonds5

About N-(6-anilinopyridazin-3-yl)-4-methoxybenzamide

N-(6-anilinopyridazin-3-yl)-4-methoxybenzamide (PubChem CID 113045480) has the molecular formula C18H16N4O2 and a molecular weight of 320.35 g/mol. Its IUPAC name is N-(6-anilinopyridazin-3-yl)-4-methoxybenzamide.

Molecular Properties

Compound NameN-(6-anilinopyridazin-3-yl)-4-methoxybenzamide
PubChem CID113045480
Molecular FormulaC18H16N4O2
Molecular Weight320.35 g/mol
Exact Mass320.13
IUPAC NameN-(6-anilinopyridazin-3-yl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(Nc3ccccc3)nn2)cc1
InChIInChI=1S/C18H16N4O2/c1-24-15-9-7-13(8-10-15)18(23)20-17-12-11-16(21-22-17)19-14-5-3-2-4-6-14/h2-12H,1H3,(H,19,21)(H,20,22,23)
InChIKeyJPZFOMXRSOOHIS-UHFFFAOYSA-N
XLogP3.48
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-(4-acetylanilino)pyridazin-3-yl]-4-methoxybenzamide
CID 113049142
N-[6-(4-acetamidoanilino)pyridazin-3-yl]-4-methoxybenzamide
CID 113049288
N-[6-[4-(dimethylamino)anilino]pyridazin-3-yl]-4-methoxybenzamide
CID 113049591
4-methoxy-N-[6-[3-(trifluoromethyl)anilino]pyridazin-3-yl]benzamide
CID 113048972
methyl 2-[[6-[(4-methoxybenzoyl)amino]pyridazin-3-yl]amino]benzoate
CID 113049352
N-[6-(2-bromoanilino)pyridazin-3-yl]-4-methoxybenzamide
CID 113050053
N-[6-(4-methoxyanilino)pyridazin-3-yl]-2-methylbenzamide
CID 113048288
N-[6-(2-ethylanilino)pyridazin-3-yl]-4-methoxybenzamide
CID 113046649
N-[4-(2-anilino-4-pyridinyl)-2-pyridinyl]-4-methoxybenzamide
CID 10475851
4-methoxy-N-[6-(2-propan-2-ylanilino)pyridazin-3-yl]benzamide
CID 113046923
2,6-dimethoxy-N-[6-(4-methoxyanilino)pyridazin-3-yl]benzamide
CID 113048302
4-methoxy-N-[6-(1-phenylethylamino)pyridazin-3-yl]benzamide
CID 113041179

Frequently Asked Questions

What is the IUPAC name of N-(6-anilinopyridazin-3-yl)-4-methoxybenzamide?
The IUPAC name of N-(6-anilinopyridazin-3-yl)-4-methoxybenzamide (CID 113045480) is N-(6-anilinopyridazin-3-yl)-4-methoxybenzamide.
What is the SMILES notation for N-(6-anilinopyridazin-3-yl)-4-methoxybenzamide?
The canonical SMILES for N-(6-anilinopyridazin-3-yl)-4-methoxybenzamide is COc1ccc(C(=O)Nc2ccc(Nc3ccccc3)nn2)cc1.
What is the InChIKey of N-(6-anilinopyridazin-3-yl)-4-methoxybenzamide?
The InChIKey is JPZFOMXRSOOHIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O2/c1-24-15-9-7-13(8-10-15)18(23)20-17-12-11-16(21-22-17)19-14-5-3-2-4-6-14/h2-12H,1H3,(H,19,21)(H,20,22,23).
What are the key properties of N-(6-anilinopyridazin-3-yl)-4-methoxybenzamide?
N-(6-anilinopyridazin-3-yl)-4-methoxybenzamide has a molecular weight of 320.35 g/mol, XLogP of 3.48, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-anilinopyridazin-3-yl)-4-methoxybenzamide is sourced from PubChem (CID 113045480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).