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

C20H19N5O3 — CID 113049288

IUPACN-[6-(4-acetamidoanilino)pyridazin-3-yl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(Nc3ccc(NC(C)=O)cc3)nn2)cc1
InChIInChI=1S/C20H19N5O3/c1-13(26)21-15-5-7-16(8-6-15)22-18-11-12-19(25-24-18)23-20(27)14-3-9-17(28-2)10-4-14/h3-12H,1-2H3,(H,21,26)(H,22,24)(H,23,25,27)
InChIKeyPOFWGGYZTVMTSY-UHFFFAOYSA-N
MW377.40 g/mol
LogP3.44
Rot. Bonds6

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

N-[6-(4-acetamidoanilino)pyridazin-3-yl]-4-methoxybenzamide (PubChem CID 113049288) has the molecular formula C20H19N5O3 and a molecular weight of 377.40 g/mol. Its IUPAC name is N-[6-(4-acetamidoanilino)pyridazin-3-yl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[6-(4-acetamidoanilino)pyridazin-3-yl]-4-methoxybenzamide
PubChem CID113049288
Molecular FormulaC20H19N5O3
Molecular Weight377.40 g/mol
Exact Mass377.15
IUPAC NameN-[6-(4-acetamidoanilino)pyridazin-3-yl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(Nc3ccc(NC(C)=O)cc3)nn2)cc1
InChIInChI=1S/C20H19N5O3/c1-13(26)21-15-5-7-16(8-6-15)22-18-11-12-19(25-24-18)23-20(27)14-3-9-17(28-2)10-4-14/h3-12H,1-2H3,(H,21,26)(H,22,24)(H,23,25,27)
InChIKeyPOFWGGYZTVMTSY-UHFFFAOYSA-N
XLogP3.44
TPSA105.24 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 53.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[6-(4-acetylanilino)pyridazin-3-yl]-4-methoxybenzamide
CID 113049142
N-(6-anilinopyridazin-3-yl)-4-methoxybenzamide
CID 113045480
N-[6-[4-(dimethylamino)anilino]pyridazin-3-yl]-4-methoxybenzamide
CID 113049591
N-[4-(4-acetamidoanilino)phenyl]-4-methoxybenzamide
CID 112988363
N-(4-acetamidophenyl)-6-(4-methoxyanilino)pyridazine-3-carboxamide
CID 109129349
N-[6-(4-acetamidoanilino)pyridazin-3-yl]-4-fluorobenzamide
CID 113049285
N-[6-(3-chloro-4-fluoroanilino)pyridazin-3-yl]-4-methoxybenzamide
CID 113047832
2,6-dimethoxy-N-[6-(4-methoxyanilino)pyridazin-3-yl]benzamide
CID 113048302
N-[6-(4-acetylanilino)pyridazin-3-yl]-2-(4-methoxyphenyl)acetamide
CID 113049153
N-[6-(4-methoxyanilino)pyridazin-3-yl]-2-methylbenzamide
CID 113048288
N-[6-(4-methoxyanilino)pyridazin-3-yl]propanamide
CID 113048275
4-methoxy-N-[6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridazin-3-yl]benzamide
CID 113051725

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-acetamidoanilino)pyridazin-3-yl]-4-methoxybenzamide?
The IUPAC name of N-[6-(4-acetamidoanilino)pyridazin-3-yl]-4-methoxybenzamide (CID 113049288) is N-[6-(4-acetamidoanilino)pyridazin-3-yl]-4-methoxybenzamide.
What is the SMILES notation for N-[6-(4-acetamidoanilino)pyridazin-3-yl]-4-methoxybenzamide?
The canonical SMILES for N-[6-(4-acetamidoanilino)pyridazin-3-yl]-4-methoxybenzamide is COc1ccc(C(=O)Nc2ccc(Nc3ccc(NC(C)=O)cc3)nn2)cc1.
What is the InChIKey of N-[6-(4-acetamidoanilino)pyridazin-3-yl]-4-methoxybenzamide?
The InChIKey is POFWGGYZTVMTSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O3/c1-13(26)21-15-5-7-16(8-6-15)22-18-11-12-19(25-24-18)23-20(27)14-3-9-17(28-2)10-4-14/h3-12H,1-2H3,(H,21,26)(H,22,24)(H,23,25,27).
What are the key properties of N-[6-(4-acetamidoanilino)pyridazin-3-yl]-4-methoxybenzamide?
N-[6-(4-acetamidoanilino)pyridazin-3-yl]-4-methoxybenzamide has a molecular weight of 377.40 g/mol, XLogP of 3.44, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-acetamidoanilino)pyridazin-3-yl]-4-methoxybenzamide is sourced from PubChem (CID 113049288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).