N-[6-(2-bromoanilino)pyridazin-3-yl]-4-methoxybenzamide

C18H15BrN4O2 — CID 113050053

IUPACN-[6-(2-bromoanilino)pyridazin-3-yl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(Nc3ccccc3Br)nn2)cc1
InChIInChI=1S/C18H15BrN4O2/c1-25-13-8-6-12(7-9-13)18(24)21-17-11-10-16(22-23-17)20-15-5-3-2-4-14(15)19/h2-11H,1H3,(H,20,22)(H,21,23,24)
InChIKeyZGGKALOWKAWGHN-UHFFFAOYSA-N
MW399.25 g/mol
LogP4.24
Rot. Bonds5

About N-[6-(2-bromoanilino)pyridazin-3-yl]-4-methoxybenzamide

N-[6-(2-bromoanilino)pyridazin-3-yl]-4-methoxybenzamide (PubChem CID 113050053) has the molecular formula C18H15BrN4O2 and a molecular weight of 399.25 g/mol. Its IUPAC name is N-[6-(2-bromoanilino)pyridazin-3-yl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[6-(2-bromoanilino)pyridazin-3-yl]-4-methoxybenzamide
PubChem CID113050053
Molecular FormulaC18H15BrN4O2
Molecular Weight399.25 g/mol
Exact Mass398.04
IUPAC NameN-[6-(2-bromoanilino)pyridazin-3-yl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(Nc3ccccc3Br)nn2)cc1
InChIInChI=1S/C18H15BrN4O2/c1-25-13-8-6-12(7-9-13)18(24)21-17-11-10-16(22-23-17)20-15-5-3-2-4-14(15)19/h2-11H,1H3,(H,20,22)(H,21,23,24)
InChIKeyZGGKALOWKAWGHN-UHFFFAOYSA-N
XLogP4.24
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.25
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[[6-[(4-methoxybenzoyl)amino]pyridazin-3-yl]amino]benzoate
CID 113049352
N-[6-(2-ethylanilino)pyridazin-3-yl]-4-methoxybenzamide
CID 113046649
4-methoxy-N-[6-(2-propan-2-ylanilino)pyridazin-3-yl]benzamide
CID 113046923
N-(2-bromophenyl)-4-methoxybenzamide
CID 5176555
N-(6-anilinopyridazin-3-yl)-4-methoxybenzamide
CID 113045480
N-[6-(4-acetamidoanilino)pyridazin-3-yl]-4-methoxybenzamide
CID 113049288
N-[6-(4-acetylanilino)pyridazin-3-yl]-4-methoxybenzamide
CID 113049142
4-methoxy-N-[6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridazin-3-yl]benzamide
CID 113051725
3-methoxy-N-[6-(2-methylanilino)pyridazin-3-yl]benzamide
CID 113045604
6-(2-bromoanilino)-N-(2-methoxyphenyl)pyridine-3-carboxamide
CID 109163910
4-methoxy-N-[6-[3-(trifluoromethyl)anilino]pyridazin-3-yl]benzamide
CID 113048972
4-methoxy-N-[6-(1-phenylethylamino)pyridazin-3-yl]benzamide
CID 113041179

Frequently Asked Questions

What is the IUPAC name of N-[6-(2-bromoanilino)pyridazin-3-yl]-4-methoxybenzamide?
The IUPAC name of N-[6-(2-bromoanilino)pyridazin-3-yl]-4-methoxybenzamide (CID 113050053) is N-[6-(2-bromoanilino)pyridazin-3-yl]-4-methoxybenzamide.
What is the SMILES notation for N-[6-(2-bromoanilino)pyridazin-3-yl]-4-methoxybenzamide?
The canonical SMILES for N-[6-(2-bromoanilino)pyridazin-3-yl]-4-methoxybenzamide is COc1ccc(C(=O)Nc2ccc(Nc3ccccc3Br)nn2)cc1.
What is the InChIKey of N-[6-(2-bromoanilino)pyridazin-3-yl]-4-methoxybenzamide?
The InChIKey is ZGGKALOWKAWGHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrN4O2/c1-25-13-8-6-12(7-9-13)18(24)21-17-11-10-16(22-23-17)20-15-5-3-2-4-14(15)19/h2-11H,1H3,(H,20,22)(H,21,23,24).
What are the key properties of N-[6-(2-bromoanilino)pyridazin-3-yl]-4-methoxybenzamide?
N-[6-(2-bromoanilino)pyridazin-3-yl]-4-methoxybenzamide has a molecular weight of 399.25 g/mol, XLogP of 4.24, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2-bromoanilino)pyridazin-3-yl]-4-methoxybenzamide is sourced from PubChem (CID 113050053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).